(4R,5S)-4-(4-nitrophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: (4R,5S)-4-(4-nitrophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: (4R,5S)-4-(4-nitrophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: (4R,5S)-4-(4-nitrophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: (4R,5S)-4-(4-nitrophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: (5S,6R)-4-keto-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C11H8N4O3S MolecularWeight: 276.27122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=O)NC(=S)N2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@H]2[C@H](C(=O)NC(=S)N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O3S/c12-5-8-9(13-11(19)14-10(8)16)6-1-3-7(4-2-6)15(17)18/h1-4,8-9H,(H2,13,14,16,19)/t8-,9+/m1/s1