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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c1-21-10-5-4-8(6-9(10)17(19)20)11(18)14-13-16-15-12(22-13)7-2-3-7/h4-7H,2-3H2,1H3,(H,14,16,18)