S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-nitrobenzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C10H8N2O4S MolecularWeight: 252.24652

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C=C(C(=O)N)SC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O4S/c1-6(9(11)13)17-10(14)7-2-4-8(5-3-7)12(15)16/h2-5H,1H2,(H2,11,13)