3-nitro-4-phenylazanyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate

Systemtic Name: 3-nitro-4-phenylazanyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate Openeye Name: 4-anilino-3-nitro-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzenecarboximidate CAS Name: 4-anilino-3-nitro-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate IUPAC Name: 4-anilino-3-nitro-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenecarboximidate Traditional Name: 4-anilino-3-nitro-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzenecarboximidate Formula: C15H11N6O3S- MolecularWeight: 355.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=NN3C=NNC3=S)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=NN3C=NNC3=S)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O3S/c22-14(19-20-9-16-18-15(20)25)10-6-7-12(13(8-10)21(23)24)17-11-4-2-1-3-5-11/h1-9,17H,(H,18,25)(H,19,22)/p-1