5-(4-methylphenyl)-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[(1-oxo-1-phenylpropan-2-yl)thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)C4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C25H22N2O2S2/c1-4-14-27-24(29)21-20(18-12-10-16(2)11-13-18)15-30-23(21)26-25(27)31-17(3)22(28)19-8-6-5-7-9-19/h4-13,15,17H,1,14H2,2-3H3