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

Systemtic Name: 1-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one Openeye Name: 1-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one CAS Name: 1-methyl-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-8-cyclohepta[c]pyrazolone IUPAC Name: 1-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohepta[c]pyrazol-8-one Traditional Name: 1-methyl-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]cyclohepta[c]pyrazol-8-one Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NN(C4=C3C=CC=CC4=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NN(C4=C3C=CC=CC4=O)C

InChI

InChI=1S/C18H16N4OS/c1-11-7-8-13-14(9-11)20-18(19-13)24-10-15-12-5-3-4-6-16(23)17(12)22(2)21-15/h3-9H,10H2,1-2H3,(H,19,20)