4-phenethyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-isopropylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(propan-2-ylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(isopropylthio)-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

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