3-(phenylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(phenylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(phenylmethylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C12H15N3OS/c1-2-8-15-11(16)13-14-12(15)17-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,16)