3-(4-tert-butylphenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C)C

InChI

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