3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methyl-cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methyl-cyclohepta[c]pyrazol-8-one Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methyl-cyclohepta[c]pyrazol-8-one CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-1-methyl-8-cyclohepta[c]pyrazolone IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-1-methylcyclohepta[c]pyrazol-8-one Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-1-methyl-cyclohepta[c]pyrazol-8-one Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H14N4OS/c1-21-16-11(6-2-5-9-15(16)22)14(20-21)10-23-17-18-12-7-3-4-8-13(12)19-17/h2-9H,10H2,1H3,(H,18,19)