1-[3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone

Systemtic Name: 1-[3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone Openeye Name: 1-[3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2,4,6-trimethyl-phenyl]ethanone CAS Name: 1-[3-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethylphenyl]ethanone IUPAC Name: 1-[3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone Traditional Name: 1-[3-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2,4,6-trimethyl-phenyl]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS/c1-13-10-14(2)20(16(4)27)15(3)19(13)12-28-22-25-24-21(26(22)18-7-8-18)17-6-5-9-23-11-17/h5-6,9-11,18H,7-8,12H2,1-4H3