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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole Formula: C25H24ClN3S MolecularWeight: 433.99616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN3S/c1-25(2,3)20-14-12-18(13-15-20)17-30-24-28-27-23(19-8-7-9-21(26)16-19)29(24)22-10-5-4-6-11-22/h4-16H,17H2,1-3H3