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

Systemtic Name: 3-(2-methoxyphenyl)-5-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(2-methoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-methoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CC=C3OC)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2N)C3=CC=CC=C3OC)C(C)C

InChI

InChI=1S/C21H26N4O2S/c1-14(2)17-10-9-16(13-15(17)3)27-11-12-28-21-24-23-20(25(21)22)18-7-5-6-8-19(18)26-4/h5-10,13-14H,11-12,22H2,1-4H3