3-[(4-methylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-methylphenyl)methylthio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-[(4-methylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-17-7-9-19(10-8-17)16-29-23-25-24-22(27)26(23)20-11-13-21(14-12-20)28-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,27)