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

Systemtic Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]heptanamide Openeye Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]heptanamide CAS Name: N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]heptanamide IUPAC Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]heptanamide Traditional Name: N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]enanthamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S2/c1-2-3-4-5-9-14(21)17-15-18-19-16(25-15)24-11-12-7-6-8-13(10-12)20(22)23/h6-8,10H,2-5,9,11H2,1H3,(H,17,18,21)