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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(4-chlorophenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C23H22ClN3S2 MolecularWeight: 440.02388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C23H22ClN3S2/c1-23(2,3)17-8-6-16(7-9-17)15-29-22-26-25-21(20-5-4-14-28-20)27(22)19-12-10-18(24)11-13-19/h4-14H,15H2,1-3H3