4-cyclopropyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-(phenacylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-(phenacylthio)-1H-1,2,4-triazol-5-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C13H13N3O2S/c17-11(9-4-2-1-3-5-9)8-19-13-15-14-12(18)16(13)10-6-7-10/h1-5,10H,6-8H2,(H,14,18)