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

Systemtic Name: 3-(3-phenylpropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(3-phenylpropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-(3-phenylpropylthio)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(3-phenylpropylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(3-phenylpropylthio)-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC2=CC=CC=C2

InChI

InChI=1S/C14H19N3OS/c1-2-10-17-13(18)15-16-14(17)19-11-6-9-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,15,18)