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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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