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

Systemtic Name: N-[5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: N-[5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide CAS Name: N-[5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: N-[5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: N-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]butyramide Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S2/c1-2-4-12(20)15-13-16-17-14(24-13)23-8-11(19)9-5-3-6-10(7-9)18(21)22/h3,5-7H,2,4,8H2,1H3,(H,15,16,20)