4-(phenylmethyl)-3-(4-propan-2-yloxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-(phenylmethyl)-3-(4-propan-2-yloxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-4-benzyl-5-(4-isopropoxyphenyl)-1,2,4-triazole CAS Name: 4-(phenylmethyl)-3-(4-propan-2-yloxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-propan-2-yloxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-4-benzyl-5-(4-isopropoxyphenyl)-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC=C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC=C

InChI

InChI=1S/C21H23N3OS/c1-4-14-26-21-23-22-20(24(21)15-17-8-6-5-7-9-17)18-10-12-19(13-11-18)25-16(2)3/h4-13,16H,1,14-15H2,2-3H3