N'-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-N-[(4-methoxyphenyl)carbonylamino]methanimidamide

Systemtic Name: N'-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-N-[(4-methoxyphenyl)carbonylamino]methanimidamide Openeye Name: N'-(4-cyano-5-methylsulfanyl-2-phenyl-pyrazol-3-yl)-N-[(4-methoxybenzoyl)amino]formamidine CAS Name: N'-[4-cyano-5-(methylthio)-2-phenyl-3-pyrazolyl]-N-[[(4-methoxyphenyl)-oxomethyl]amino]methanimidamide IUPAC Name: N'-(4-cyano-5-methylsulfanyl-2-phenylpyrazol-3-yl)-N-[(4-methoxybenzoyl)amino]methanimidamide Traditional Name: N'-[4-cyano-5-(methylthio)-2-phenyl-pyrazol-3-yl]-N-(p-anisoylamino)formamidine Formula: C20H18N6O2S MolecularWeight: 406.46092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC=NC2=C(C(=NN2C3=CC=CC=C3)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NN/C=N/C2=C(C(=NN2C3=CC=CC=C3)SC)C#N

InChI

InChI=1S/C20H18N6O2S/c1-28-16-10-8-14(9-11-16)19(27)24-23-13-22-18-17(12-21)20(29-2)25-26(18)15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,22,23)(H,24,27)