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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,4,5-trimethylphenyl)propan-1-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4)C)C

InChI

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