2-(4-methyl-3-nitro-phenyl)carbothioylbenzoic acid

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)carbothioylbenzoic acid Openeye Name: 2-(4-methyl-3-nitro-benzenecarbothioyl)benzoic acid CAS Name: 2-[(4-methyl-3-nitrophenyl)-sulfanylidenemethyl]benzoic acid IUPAC Name: 2-(4-methyl-3-nitrobenzenecarbothioyl)benzoic acid Traditional Name: 2-(4-methyl-3-nitro-thiobenzoyl)benzoic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=S)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=S)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO4S/c1-9-6-7-10(8-13(9)16(19)20)14(21)11-4-2-3-5-12(11)15(17)18/h2-8H,1H3,(H,17,18)