4-(phenylmethyl)-3-propoxy-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(phenylmethyl)-3-propoxy-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-propoxy-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-propoxy-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-propoxy-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-propoxy-1H-1,2,4-triazol-5-one Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NNC(=O)N1CC2=CC=CC=C2

Isomeric SMILES

CCCOC1=NNC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C12H15N3O2/c1-2-8-17-12-14-13-11(16)15(12)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,16)