3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole Formula: C20H22ClN3S MolecularWeight: 371.92678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3S/c1-20(2,3)16-9-5-14(6-10-16)13-25-19-23-22-18(24(19)4)15-7-11-17(21)12-8-15/h5-12H,13H2,1-4H3