4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H26N4S/c1-5-25-19(16-8-12-18(22)13-9-16)23-24-20(25)26-14-15-6-10-17(11-7-15)21(2,3)4/h6-13H,5,14,22H2,1-4H3