N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S2/c1-3-16-21-22-19(29-16)20-18(25)13-7-5-4-6-12(13)17(24)11-8-9-15(28-2)14(10-11)23(26)27/h4-10H,3H2,1-2H3,(H,20,22,25)