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

Systemtic Name: 4-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-nitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-nitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-nitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c1-2-7-20-12-15-14-11(21-12)13-10(17)8-3-5-9(6-4-8)16(18)19/h3-6H,2,7H2,1H3,(H,13,14,17)