2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-(4-chlorophenyl)-4-(4-dimethylaminophenyl)nicotinonitrile Formula: C28H29ClN4OS MolecularWeight: 505.07406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN4OS/c1-32(2)23-13-9-20(10-14-23)24-17-26(21-7-11-22(29)12-8-21)31-28(25(24)18-30)35-19-27(34)33-15-5-3-4-6-16-33/h7-14,17H,3-6,15-16,19H2,1-2H3