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

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-3-nitro-benzonitrile Formula: C11H7N5O3S MolecularWeight: 289.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C11H7N5O3S/c12-5-6-1-2-8(7(3-6)16(18)19)20-11-14-9(13)4-10(17)15-11/h1-4H,(H3,13,14,15,17)