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

Systemtic Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methyl-cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methyl-cyclohepta[c]pyrazol-8-one CAS Name: 3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-1-methyl-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1-methylcyclohepta[c]pyrazol-8-one Traditional Name: 3-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-1-methyl-cyclohepta[c]pyrazol-8-one Formula: C18H16N4O2S MolecularWeight: 352.41024

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c1-22-17-12(5-3-4-6-16(17)23)15(21-22)10-25-18-19-13-8-7-11(24-2)9-14(13)20-18/h3-9H,10H2,1-2H3,(H,19,20)