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

Systemtic Name: 4-(4-phenylmethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(4-phenylmethoxyphenyl)-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-phenylmethoxyphenyl)-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-(propargylthio)-1H-1,2,4-triazol-5-one Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NNC(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2S/c1-2-12-24-18-20-19-17(22)21(18)15-8-10-16(11-9-15)23-13-14-6-4-3-5-7-14/h1,3-11H,12-13H2,(H,19,22)