1-[2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone Openeye Name: 1-[2-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]phenyl]ethanone CAS Name: 1-[2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethoxy]phenyl]ethanone IUPAC Name: 1-[2-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]phenyl]ethanone Traditional Name: 1-[2-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]phenyl]ethanone Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H20N4O2S/c1-14(25)17-4-2-3-5-18(17)26-12-13-27-20-23-22-19(24(20)16-6-7-16)15-8-10-21-11-9-15/h2-5,8-11,16H,6-7,12-13H2,1H3