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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(2-methylallylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(2-methylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(2-methylallylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C15H15N3O3S3 MolecularWeight: 381.4929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)SCC(=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)SCC(=C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S3/c1-9(2)7-22-14-16-17-15(24-14)23-8-13(19)11-5-4-10(3)12(6-11)18(20)21/h4-6H,1,7-8H2,2-3H3