4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-(m-tolyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-(3-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-5-(m-tolyl)-4-p-phenetyl-1,2,4-triazole Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C25H25N3OS/c1-4-29-23-14-12-22(13-15-23)28-24(21-7-5-6-19(3)16-21)26-27-25(28)30-17-20-10-8-18(2)9-11-20/h5-16H,4,17H2,1-3H3