5-ethanoyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C25H23N3O4S/c1-4-17-8-10-18(11-9-17)22(30)14-33-25-21(13-26)24(23(16(3)29)15(2)27-25)19-6-5-7-20(12-19)28(31)32/h5-12,24,27H,4,14H2,1-3H3