5-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[2-oxo-2-(4-phenoxyphenyl)ethyl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(4-phenoxyphenyl)ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C30H24N2O3S2 MolecularWeight: 524.65316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CC=C

InChI

InChI=1S/C30H24N2O3S2/c1-3-17-32-29(34)27-25(21-11-9-20(2)10-12-21)18-36-28(27)31-30(32)37-19-26(33)22-13-15-24(16-14-22)35-23-7-5-4-6-8-23/h3-16,18H,1,17,19H2,2H3