[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-carbamimidoylsulfanyl-N-(4-nitrophenyl)acetamide CAS Name: carbamimidothioic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] carbamimidothioate Traditional Name: 2-(amidinothio)-N-(4-nitrophenyl)acetamide Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O3S/c10-9(11)17-5-8(14)12-6-1-3-7(4-2-6)13(15)16/h1-4H,5H2,(H3,10,11)(H,12,14)