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

Systemtic Name: 1H-benzimidazol-2-yl-[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanethiol Openeye Name: 1H-benzimidazol-2-yl-[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanethiol CAS Name: 1H-benzimidazol-2-yl-[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanethiol IUPAC Name: 1H-benzimidazol-2-yl-[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanethiol Traditional Name: 1H-benzimidazol-2-yl-[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanethiol Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-3-25-17(12-26-14-10-8-13(2)9-11-14)23-24-20(25)18(27)19-21-15-6-4-5-7-16(15)22-19/h4-11,18,27H,3,12H2,1-2H3,(H,21,22)