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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(4-tert-butylphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(4-tert-butylphenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(4-tert-butylphenyl)-1,2,4-triazole Formula: C26H27N3S MolecularWeight: 413.57768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3S/c1-26(2,3)23-16-14-22(15-17-23)24-27-28-25(30-19-21-12-8-5-9-13-21)29(24)18-20-10-6-4-7-11-20/h4-17H,18-19H2,1-3H3