2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methylthio]-1H-benzimidazole Formula: C16H12ClN5S MolecularWeight: 341.81798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H12ClN5S/c17-11-7-5-10(6-8-11)15-20-14(21-22-15)9-23-16-18-12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,18,19)(H,20,21,22)