3-(phenylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(phenylmethylthio)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-13(2)23-16-10-6-9-15(11-16)17-20-21-18(22(17)19)24-12-14-7-4-3-5-8-14/h3-11,13H,12,19H2,1-2H3