3-[(3-methoxyphenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-isopropyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(3-methoxyphenyl)methylthio]-5-propan-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-isopropyl-5-(m-anisylthio)-1,2,4-triazol-4-yl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC(=CC=C2)OC

InChI

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