1-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propan-1-one Formula: C21H24N2OS3 MolecularWeight: 416.62306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN(C(=S)S4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN(C(=S)S4)C5=CC=CC=C5

InChI

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