3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[2-(3-methylphenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-15-6-5-7-18(14-15)26-12-13-27-20-24-23-19(25(20)22)16-8-10-17(11-9-16)21(2,3)4/h5-11,14H,12-13,22H2,1-4H3