4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C12H8N4O3S MolecularWeight: 288.28192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O3S/c1-7-4-11(17)15-12(14-7)20-10-3-2-8(6-13)5-9(10)16(18)19/h2-5H,1H3,(H,14,15,17)