2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C17H14ClN5OS MolecularWeight: 371.84396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NNC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NNC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN5OS/c18-11-5-7-12(8-6-11)24-9-15-21-17(23-22-15)25-10-16-19-13-3-1-2-4-14(13)20-16/h1-8H,9-10H2,(H,19,20)(H,21,22,23)