4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O4S/c1-10-5-11(2)7-13(6-10)19-16(21)9-25-15-4-3-12(17(18)22)8-14(15)20(23)24/h3-8H,9H2,1-2H3,(H2,18,22)(H,19,21)