4-phenethyl-3-propylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-propylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-propylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(propylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-propylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(propylthio)-1H-1,2,4-triazol-5-one Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CCCSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c1-2-10-18-13-15-14-12(17)16(13)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,17)