3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NNC(=N2)N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NNC(=N2)N)C(C)C

InChI

InChI=1S/C14H20N4OS/c1-9(2)12-5-4-11(8-10(12)3)19-6-7-20-14-16-13(15)17-18-14/h4-5,8-9H,6-7H2,1-3H3,(H3,15,16,17,18)