3-[(3-methylphenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3-isopropoxyphenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3-isopropoxyphenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-5-12-25-21(19-10-7-11-20(14-19)26-16(2)3)23-24-22(25)27-15-18-9-6-8-17(4)13-18/h5-11,13-14,16H,1,12,15H2,2-4H3