(E)-1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[3-(4-methylsulfanylphenyl)carbonylpiperidin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (E)-1-[3-(4-methylsulfanylbenzoyl)-1-piperidyl]-3-(4-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[3-[[4-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-1-[3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (E)-1-[3-[4-(methylthio)benzoyl]piperidino]-3-(4-pyridyl)prop-2-en-1-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C21H22N2O2S/c1-26-19-7-5-17(6-8-19)21(25)18-3-2-14-23(15-18)20(24)9-4-16-10-12-22-13-11-16/h4-13,18H,2-3,14-15H2,1H3/b9-4+