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

Systemtic Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCC(=N2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H20N6OS/c1-2-13-26-20(17-8-11-22-12-9-17)23-24-21(26)29-15-19(28)27-14-10-18(25-27)16-6-4-3-5-7-16/h2-9,11-12H,1,10,13-15H2