6-(3-nitrophenyl)-4-oxidanylidene-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-nitrophenyl)-4-oxidanylidene-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-nitrophenyl)-4-oxo-2-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-nitrophenyl)-4-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-nitrophenyl)-4-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-nitrophenyl)-2-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C15H8N4O3S MolecularWeight: 324.31402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)N=C(N2)C3=CC=CS3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)N=C(N2)C3=CC=CS3)C#N

InChI

InChI=1S/C15H8N4O3S/c16-8-11-13(9-3-1-4-10(7-9)19(21)22)17-14(18-15(11)20)12-5-2-6-23-12/h1-7H,(H,17,18,20)