(5S)-7-azanyl-5-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: (5S)-7-azanyl-5-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: (5S)-7-amino-5-(4-nitrophenyl)-4-oxo-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: (5S)-7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: (5S)-7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: (5S)-7-amino-4-keto-5-(4-nitrophenyl)-2-thioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C14H9N5O4S MolecularWeight: 343.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=C(OC3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[C@H]2C(=C(OC3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O4S/c15-5-8-9(6-1-3-7(4-2-6)19(21)22)10-12(20)17-14(24)18-13(10)23-11(8)16/h1-4,9H,16H2,(H2,17,18,20,24)/t9-/m0/s1