1-(azocan-1-yl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C18H23N3OS3 MolecularWeight: 393.58972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)N3CCCCCCC3

InChI

InChI=1S/C18H23N3OS3/c1-14-9-5-6-10-15(14)21-18(23)25-17(19-21)24-13-16(22)20-11-7-3-2-4-8-12-20/h5-6,9-10H,2-4,7-8,11-13H2,1H3