4-(4-methoxyphenyl)-3-[(2-propylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-[(2-propylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-[(2-propylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[(2-propyl-1-benzimidazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-[(2-propylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-[(2-propylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2N1CC3=NNC(=S)N3C4=CC=C(C=C4)OC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2N1CC3=NNC(=S)N3C4=CC=C(C=C4)OC

InChI

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