1H-benzimidazol-2-yl-[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol

Systemtic Name: 1H-benzimidazol-2-yl-[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]methanethiol Formula: C19H18ClN5OS MolecularWeight: 399.89712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1C(C2=NC3=CC=CC=C3N2)S)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1C(C2=NC3=CC=CC=C3N2)S)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN5OS/c1-2-25-16(11-26-13-9-7-12(20)8-10-13)23-24-19(25)17(27)18-21-14-5-3-4-6-15(14)22-18/h3-10,17,27H,2,11H2,1H3,(H,21,22)