3-(4-chloranyl-3-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-chloro-3-methyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-chloro-3-methylphenyl)-2-[(3-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(4-chloro-3-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-chloro-3-methyl-phenyl)-2-[(3-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C20H14ClN3O3S2 MolecularWeight: 443.92646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3S2/c1-12-9-14(5-6-16(12)21)23-19(25)18-17(7-8-28-18)22-20(23)29-11-13-3-2-4-15(10-13)24(26)27/h2-10H,11H2,1H3