2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O2S/c1-14(2)25-21(18-10-12-19(27-5)13-11-18)23-24-22(25)28-16(4)20(26)17-8-6-15(3)7-9-17/h6-14,16H,1-5H3