N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanyl-5-nitro-benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanyl-5-nitro-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-(p-tolylsulfanyl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)thio]-5-nitrobenzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-(p-tolylthio)benzamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)C

InChI

InChI=1S/C18H16N4O3S2/c1-3-16-20-21-18(27-16)19-17(23)14-10-12(22(24)25)6-9-15(14)26-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,19,21,23)