2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]ethanone Formula: C24H27N5OS3 MolecularWeight: 497.69908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5CCCCC5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5CCCCC5

InChI

InChI=1S/C24H27N5OS3/c1-2-12-28-23(17-8-4-3-5-9-17)25-26-24(28)33-16-22(30)29-19(21-11-7-14-32-21)15-18(27-29)20-10-6-13-31-20/h2,6-7,10-11,13-14,17,19H,1,3-5,8-9,12,15-16H2