3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methyl-cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methyl-cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methyl-cyclohepta[c]pyrazol-8-one CAS Name: 3-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-1-methyl-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methylcyclohepta[c]pyrazol-8-one Traditional Name: 3-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-1-methyl-cyclohepta[c]pyrazol-8-one Formula: C17H13ClN4OS MolecularWeight: 356.82932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C17H13ClN4OS/c1-22-16-11(4-2-3-5-15(16)23)14(21-22)9-24-17-19-12-7-6-10(18)8-13(12)20-17/h2-8H,9H2,1H3,(H,19,20)