3-(2-methoxyphenyl)-5-(3-methylbut-2-enylsulfanyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-5-(3-methylbut-2-enylsulfanyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-(2-methoxyphenyl)-5-(3-methylbut-2-enylsulfanyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-5-(3-methylbut-2-enylthio)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-5-(3-methylbut-2-enylsulfanyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-(2-methoxyphenyl)-5-(3-methylbut-2-enylthio)-4-phenethyl-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC(=CCSC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H25N3OS/c1-17(2)14-16-27-22-24-23-21(19-11-7-8-12-20(19)26-3)25(22)15-13-18-9-5-4-6-10-18/h4-12,14H,13,15-16H2,1-3H3