5-(4-methylphenyl)-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)sulfanylmethyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[(4-nitrophenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4-nitrophenyl)thio]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O3S2/c1-12-2-4-13(5-3-12)16-10-28-20-18(16)19(24)21-17(22-20)11-27-15-8-6-14(7-9-15)23(25)26/h2-10H,11H2,1H3,(H,21,22,24)