6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

Systemtic Name: 6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Openeye Name: 6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide CAS Name: 6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide IUPAC Name: 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide Traditional Name: 6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)-1,4-dihydropyridine-3-carboxamide Formula: C31H31N3O2S2 MolecularWeight: 541.72674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4)C#N

InChI

InChI=1S/C31H31N3O2S2/c1-4-5-10-22-13-15-23(16-14-22)26(35)19-38-31-24(18-32)29(27-12-8-17-37-27)28(21(3)33-31)30(36)34-25-11-7-6-9-20(25)2/h6-9,11-17,29,33H,4-5,10,19H2,1-3H3,(H,34,36)