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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(4-tert-butylphenyl)-5-[(2,4-dichlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C19H20Cl2N4S MolecularWeight: 407.3599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N4S/c1-19(2,3)14-7-4-12(5-8-14)17-23-24-18(25(17)22)26-11-13-6-9-15(20)10-16(13)21/h4-10H,11,22H2,1-3H3