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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazole Formula: C19H20ClN3S MolecularWeight: 357.9002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C19H20ClN3S/c1-19(2,3)14-7-5-13(6-8-14)17-21-22-18(24-4)23(17)16-11-9-15(20)10-12-16/h5-12H,1-4H3