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

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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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=CNC5=CC=CC=C54)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CNC5=CC=CC=C54)CC=C

InChI

InChI=1S/C26H21N3O2S2/c1-3-12-29-25(31)23-20(17-10-8-16(2)9-11-17)14-32-24(23)28-26(29)33-15-22(30)19-13-27-21-7-5-4-6-18(19)21/h3-11,13-14,27H,1,12,15H2,2H3