3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-methoxyphenyl)-4-methyl-5-[(2,4,6-trimethylbenzyl)thio]-1,2,4-triazole Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2C)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H23N3OS/c1-13-9-14(2)18(15(3)10-13)12-25-20-22-21-19(23(20)4)16-7-6-8-17(11-16)24-5/h6-11H,12H2,1-5H3