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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(2-ethoxyethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(2-ethoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(2-ethoxyethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(2-ethoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(2-ethoxyethylthio)-1,2,4-triazole Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOCCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N3OS/c1-5-27-15-16-28-22-25-24-21(26(22)17-18-9-7-6-8-10-18)19-11-13-20(14-12-19)23(2,3)4/h6-14H,5,15-17H2,1-4H3