4-phenylsulfanyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

Systemtic Name: 4-phenylsulfanyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one Openeye Name: 4-phenylsulfanyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one CAS Name: 4-(phenylthio)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-butanone IUPAC Name: 4-phenylsulfanyl-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one Traditional Name: 4-(phenylthio)-1-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)C(=O)CCCSC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C2=CCN(CC2)C(=O)CCCSC3=CC=CC=C3)OC

InChI

InChI=1S/C24H29NO4S/c1-27-19-16-21(28-2)24(22(17-19)29-3)18-11-13-25(14-12-18)23(26)10-7-15-30-20-8-5-4-6-9-20/h4-6,8-9,11,16-17H,7,10,12-15H2,1-3H3