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

Systemtic Name: 4-(4-phenylmethoxyphenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-isopropylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(4-phenylmethoxyphenyl)-3-(propan-2-ylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-phenylmethoxyphenyl)-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(isopropylthio)-1H-1,2,4-triazol-5-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-13(2)24-18-20-19-17(22)21(18)15-8-10-16(11-9-15)23-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,22)