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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[(3-chlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H21ClN4S MolecularWeight: 372.91484

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4S/c1-19(2,3)15-9-7-14(8-10-15)17-22-23-18(24(17)21)25-12-13-5-4-6-16(20)11-13/h4-11H,12,21H2,1-3H3