4-(3-nitrophenyl)carbothioylthiomorpholine-3-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)carbothioylthiomorpholine-3-carboxylic acid Openeye Name: 4-(3-nitrobenzenecarbothioyl)thiomorpholine-3-carboxylic acid CAS Name: 4-[(3-nitrophenyl)-sulfanylidenemethyl]-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(3-nitrobenzenecarbothioyl)thiomorpholine-3-carboxylic acid Traditional Name: 4-(3-nitrothiobenzoyl)thiomorpholine-3-carboxylic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1C(=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CSCC(N1C(=S)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N2O4S2/c15-12(16)10-7-20-5-4-13(10)11(19)8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,15,16)