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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-phenylethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-phenylethylthio)-1,2,4-triazole Formula: C26H26ClN3S MolecularWeight: 448.02274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26ClN3S/c1-18(19-8-6-5-7-9-19)31-25-29-28-24(30(25)23-16-14-22(27)15-17-23)20-10-12-21(13-11-20)26(2,3)4/h5-18H,1-4H3