5-methylsulfanyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-amine

Systemtic Name: 5-methylsulfanyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-amine Openeye Name: 4-[(4-isopropoxyphenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-amine CAS Name: 5-(methylthio)-4-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-methylsulfanyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [4-(4-isopropoxybenzyl)-5-(methylthio)-1,2,4-triazol-3-yl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2C(=NN=C2SC)N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2C(=NN=C2SC)N

InChI

InChI=1S/C13H18N4OS/c1-9(2)18-11-6-4-10(5-7-11)8-17-12(14)15-16-13(17)19-3/h4-7,9H,8H2,1-3H3,(H2,14,15)