(2R)-2-cyano-N-methyl-3-oxidanylidene-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanethioamide

Systemtic Name: (2R)-2-cyano-N-methyl-3-oxidanylidene-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanethioamide Openeye Name: (2R)-2-cyano-N-methyl-3-oxo-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanethioamide CAS Name: (2R)-2-cyano-N-methyl-3-oxo-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanethioamide IUPAC Name: (2R)-2-cyano-N-methyl-3-oxo-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanethioamide Traditional Name: (2R)-2-cyano-3-keto-N-methyl-3-(1-phenyl-4,5-dihydrobenz[g]indazol-3-yl)thiopropionamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(C#N)C(=O)C1=NN(C2=C1CCC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)[C@H](C#N)C(=O)C1=NN(C2=C1CCC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4OS/c1-24-22(28)18(13-23)21(27)19-17-12-11-14-7-5-6-10-16(14)20(17)26(25-19)15-8-3-2-4-9-15/h2-10,18H,11-12H2,1H3,(H,24,28)/t18-/m1/s1