N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide CAS Name: N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]butyramide Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S2/c1-2-4-11(18)14-12-15-16-13(22-12)21-8-9-5-3-6-10(7-9)17(19)20/h3,5-7H,2,4,8H2,1H3,(H,14,15,18)