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

Systemtic Name: 4-(oxolan-2-ylmethyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(2-oxolanylmethyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-one Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)NN=C2SCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CN2C(=O)NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O2S/c18-13-15-16-14(17(13)9-12-7-4-8-19-12)20-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,18)