3-phenylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-phenylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 2-isopropyl-3-phenylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-(phenylthio)-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-phenylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 2-isopropyl-3-(phenylthio)-1H-1,2,4-triazol-5-one Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC(=O)N1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)N1C(=NC(=O)N1)SC2=CC=CC=C2

InChI

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