S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-chloranyl-3-nitro-benzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-chloranyl-3-nitro-benzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 4-chloro-3-nitro-benzenecarbothioate CAS Name: 4-chloro-3-nitrobenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 4-chloro-3-nitrobenzenecarbothioate Traditional Name: 4-chloro-3-nitro-thiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C10H7ClN2O4S MolecularWeight: 286.69158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN2O4S/c1-5(9(12)14)18-10(15)6-2-3-7(11)8(4-6)13(16)17/h2-4H,1H2,(H2,12,14)