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

Systemtic Name: 3-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-(methylthio)-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-methylsulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(methylthio)-1H-1,2,4-triazol-5-one Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-22-16-18-17-15(20)19(16)13-7-9-14(10-8-13)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,20)