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

Systemtic Name: 3-methyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 3-methyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 3-methyl-N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 3-methyl-N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 3-methyl-N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]butyramide Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S2/c1-9(2)6-12(19)15-13-16-17-14(23-13)22-8-10-4-3-5-11(7-10)18(20)21/h3-5,7,9H,6,8H2,1-2H3,(H,15,16,19)