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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(1-phenylethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(1-phenylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(1-phenylethylthio)-4-p-phenetyl-1,2,4-triazole Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H31N3OS/c1-6-32-25-18-16-24(17-19-25)31-26(22-12-14-23(15-13-22)28(3,4)5)29-30-27(31)33-20(2)21-10-8-7-9-11-21/h7-20H,6H2,1-5H3