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

Systemtic Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C21H24N2OS3 MolecularWeight: 416.62306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2OS3/c1-13-4-2-3-5-17(13)23-20(25)27-19(22-23)26-12-18(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3