4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

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