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

Systemtic Name: 3-(4-methoxyphenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(4-methoxyphenyl)-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-prop-2-enyl-5-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(4-methoxyphenyl)-5-[(2,4,6-trimethylbenzyl)thio]-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H25N3OS/c1-6-11-25-21(18-7-9-19(26-5)10-8-18)23-24-22(25)27-14-20-16(3)12-15(2)13-17(20)4/h6-10,12-13H,1,11,14H2,2-5H3