1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol; 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole; 2-(furan-2-yl)-1H-benzimidazole

Systemtic Name: 1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol; 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole; 2-(furan-2-yl)-1H-benzimidazole Openeye Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol; 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole; 2-(2-furyl)-1H-benzimidazole CAS Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butanol; 2-(3,5-dimethyl-1-pyrazolyl)-1H-benzimidazole; 2-(2-furanyl)-1H-benzimidazole IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol; 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole; 2-(furan-2-yl)-1H-benzimidazole Traditional Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol; 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole; 2-(2-furyl)-1H-benzimidazole Formula: C37H38ClN9O3 MolecularWeight: 692.20912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=CC=CC=C3N2)C.CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O.C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3

Isomeric SMILES

CC1=CC(=NN1C2=NC3=CC=CC=C3N2)C.CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O.C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3

InChI

InChI=1S/C14H18ClN3O2.C12H12N4.C11H8N2O/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11;1-8-7-9(2)16(15-8)12-13-10-5-3-4-6-11(10)14-12;1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h4-9,12-13,19H,1-3H3;3-7H,1-2H3,(H,13,14);1-7H,(H,12,13)