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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[(3-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=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S2/c1-14-5-7-15(8-6-14)12-23-20(25)19-18(9-10-28-19)22-21(23)29-13-16-3-2-4-17(11-16)24(26)27/h2-11H,12-13H2,1H3