3-(4-tert-butylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-tert-butylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-19(2,3)16-11-9-15(10-12-16)17-21-22-18(23(17)20)24-13-14-7-5-4-6-8-14/h4-12H,13,20H2,1-3H3