4-[3-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[3-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonylpyridin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[[3-[4-[4-(4-chlorophenyl)-5-(p-tolyl)thiazol-2-yl]piperidine-1-carbonyl]-2-pyridyl]sulfanyl]butanenitrile CAS Name: 4-[[3-[[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]-2-pyridinyl]thio]butanenitrile IUPAC Name: 4-[3-[4-[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[4-[4-(4-chlorophenyl)-5-(p-tolyl)thiazol-2-yl]piperidine-1-carbonyl]-2-pyridyl]thio]butyronitrile Formula: C31H29ClN4OS2 MolecularWeight: 573.17116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(S2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCCCC#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(S2)C3CCN(CC3)C(=O)C4=C(N=CC=C4)SCCCC#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H29ClN4OS2/c1-21-6-8-23(9-7-21)28-27(22-10-12-25(32)13-11-22)35-29(39-28)24-14-18-36(19-15-24)31(37)26-5-4-17-34-30(26)38-20-3-2-16-33/h4-13,17,24H,2-3,14-15,18-20H2,1H3