N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S2/c1-3-4-5-12-16-17-14(23-12)15-13(19)9-6-7-11(22-2)10(8-9)18(20)21/h6-8H,3-5H2,1-2H3,(H,15,17,19)