3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylthio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S2/c1-13-2-6-15(7-3-13)22-19(24)18-17(10-11-27-18)21-20(22)28-12-14-4-8-16(9-5-14)23(25)26/h2-9H,10-12H2,1H3