4-phenyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-phenyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazole CAS Name: 4-phenyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-phenyl-3-[2-(4-propan-2-yloxyphenyl)ethyl]-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-[2-(4-isopropoxyphenyl)ethyl]-4-phenyl-1,2,4-triazole Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC=C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCC2=NN=C(N2C3=CC=CC=C3)SCC=C

InChI

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