5-methylsulfanyl-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)oxiran-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 5-methylsulfanyl-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)oxiran-2-yl]methyl]-1,2,4-triazole Openeye Name: 5-methylsulfanyl-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)oxiran-2-yl]methyl]-1,2,4-triazole CAS Name: 5-(methylthio)-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)-2-oxiranyl]methyl]-1,2,4-triazole IUPAC Name: 5-methylsulfanyl-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)oxiran-2-yl]methyl]-1,2,4-triazole Traditional Name: 5-(methylthio)-1-[[2-phenyl-3-(2,3,4-trimethylphenyl)oxiran-2-yl]methyl]-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2C(O2)(CN3C(=NC=N3)SC)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C2C(O2)(CN3C(=NC=N3)SC)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H23N3OS/c1-14-10-11-18(16(3)15(14)2)19-21(25-19,17-8-6-5-7-9-17)12-24-20(26-4)22-13-23-24/h5-11,13,19H,12H2,1-4H3