1-(4-methyl-3-nitro-phenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S2/c1-3-6-15-13-16-17-14(23-13)22-8-12(19)10-5-4-9(2)11(7-10)18(20)21/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)