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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(isoamylthio)-3-nitro-benzamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S2/c1-4-14-18-19-16(25-14)17-15(21)11-5-6-13(12(9-11)20(22)23)24-8-7-10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19,21)