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

Systemtic Name: 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C13H13N3O3S3 MolecularWeight: 355.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3S3/c1-3-20-12-14-15-13(22-12)21-7-11(17)9-5-4-8(2)10(6-9)16(18)19/h4-6H,3,7H2,1-2H3