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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(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=CC(=C(C=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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