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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(2,4-dichlorophenyl)-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)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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