azanyl-[(4R)-6-azanyl-5-cyano-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyridin-3-ylidene]methanolate

Systemtic Name: azanyl-[(4R)-6-azanyl-5-cyano-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyridin-3-ylidene]methanolate Openeye Name: amino-[(4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyridin-3-ylidene]methanolate CAS Name: amino-[(4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyridin-3-ylidene]methanolate IUPAC Name: amino-[(4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyridin-3-ylidene]methanolate Traditional Name: amino-[(4R)-6-amino-5-cyano-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyridin-3-ylidene]methanolate Formula: C13H10N5O3S- MolecularWeight: 316.3152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=C(NC(=S)C2=C(N)[O-])N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@@H]2C(=C(NC(=S)C2=C(N)[O-])N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c14-5-8-9(6-1-3-7(4-2-6)18(20)21)10(12(16)19)13(22)17-11(8)15/h1-4,9,19H,15-16H2,(H,17,22)/p-1/t9-/m1/s1