4-phenethyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(3-phenoxypropylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(3-phenoxypropylthio)-1H-1,2,4-triazol-5-one Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCCOC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c23-18-20-21-19(22(18)13-12-16-8-3-1-4-9-16)25-15-7-14-24-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,20,23)