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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-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)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

InChI

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