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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)C)C

InChI

InChI=1S/C21H22N4OS/c1-13-10-15(3)18(11-14(13)2)19(26)12-27-21-24-23-20(25(21)17-4-5-17)16-6-8-22-9-7-16/h6-11,17H,4-5,12H2,1-3H3