2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]ethanone Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3S2/c1-13-5-7-14(8-6-13)17-10-28-20-19(17)21(23-12-22-20)29-11-18(25)15-3-2-4-16(9-15)24(26)27/h2-10,12H,11H2,1H3