4-(4-nitrophenyl)-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-nitrophenyl)-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-nitrophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-nitrophenyl)-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-nitrophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-(4-nitrophenyl)-6-phenyl-nicotinonitrile Formula: C29H23N3O3S MolecularWeight: 493.57622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C29H23N3O3S/c1-18-13-20(3)24(14-19(18)2)28(33)17-36-29-26(16-30)25(21-9-11-23(12-10-21)32(34)35)15-27(31-29)22-7-5-4-6-8-22/h4-15H,17H2,1-3H3