3-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[(4-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O3S2/c1-13-3-6-17(11-14(13)2)23-20(25)19-18(9-10-28-19)22-21(23)29-12-15-4-7-16(8-5-15)24(26)27/h3-11H,12H2,1-2H3