3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C30H29N7O2S MolecularWeight: 551.66196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C(C)C)C#N

InChI

InChI=1S/C30H29N7O2S/c1-18(2)20-10-12-21(13-11-20)26-23(16-31)28(33)35-29(24(26)17-32)40-15-14-25(38)34-27-19(3)36(4)37(30(27)39)22-8-6-5-7-9-22/h5-13,18H,14-15H2,1-4H3,(H2,33,35)(H,34,38)