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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-1,2,4-triazole Formula: C30H35N3S MolecularWeight: 469.684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H35N3S/c1-29(2,3)25-16-12-23(13-17-25)21-34-28-32-31-27(33(28)20-22-10-8-7-9-11-22)24-14-18-26(19-15-24)30(4,5)6/h7-19H,20-21H2,1-6H3