5-[(2-methylbenzimidazol-1-yl)methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-methyl-1-benzimidazolyl)methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C18H16N5S- MolecularWeight: 334.41814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])CN3C(=NC4=CC=CC=C43)C

InChI

InChI=1S/C18H17N5S/c1-12-7-9-14(10-8-12)23-17(20-21-18(23)24)11-22-13(2)19-15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,21,24)/p-1