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

Systemtic Name: 4-phenyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-isopropylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenyl-3-(propan-2-ylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenyl-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(isopropylthio)-4-phenyl-1H-1,2,4-triazol-5-one Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3OS/c1-8(2)16-11-13-12-10(15)14(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,15)