5-(4-methylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(1-naphthylmethylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(1-naphthalenylmethylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(1-naphthylmethylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H22N2OS2 MolecularWeight: 454.60638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC5=CC=CC=C54)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=CC5=CC=CC=C54)CC=C

InChI

InChI=1S/C27H22N2OS2/c1-3-15-29-26(30)24-23(20-13-11-18(2)12-14-20)17-31-25(24)28-27(29)32-16-21-9-6-8-19-7-4-5-10-22(19)21/h3-14,17H,1,15-16H2,2H3