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

Systemtic Name: 4-cyclopropyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C12H13N3OS/c16-11-13-14-12(15(11)10-6-7-10)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,16)