N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Openeye Name: 4-nitro-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide Traditional Name: 4-nitro-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-3-8(2)21-13-16-15-12(22-13)14-11(18)9-4-6-10(7-5-9)17(19)20/h4-8H,3H2,1-2H3,(H,14,15,18)