3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-cinnamylsulfanyl-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-(cinnamylthio)-4-(p-tolyl)-1,2,4-triazole Formula: C28H29N3S MolecularWeight: 439.61496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H29N3S/c1-21-12-18-25(19-13-21)31-26(23-14-16-24(17-15-23)28(2,3)4)29-30-27(31)32-20-8-11-22-9-6-5-7-10-22/h5-19H,20H2,1-4H3