2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C17H14ClN5S MolecularWeight: 355.84456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C17H14ClN5S/c1-11-6-7-12(8-13(11)18)23-10-19-22-17(23)24-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10H,9H2,1H3,(H,20,21)