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

Systemtic Name: 1-methyl-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one Openeye Name: 1-methyl-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one CAS Name: 1-methyl-3-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]-8-cyclohepta[c]pyrazolone IUPAC Name: 1-methyl-3-[(6-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one Traditional Name: 1-methyl-3-[[(6-nitro-1H-benzimidazol-2-yl)thio]methyl]cyclohepta[c]pyrazol-8-one Formula: C17H13N5O3S MolecularWeight: 367.38182

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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)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=CC=CC2=O)C(=N1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O3S/c1-21-16-11(4-2-3-5-15(16)23)14(20-21)9-26-17-18-12-7-6-10(22(24)25)8-13(12)19-17/h2-8H,9H2,1H3,(H,18,19)