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

Systemtic Name: 4-(2-chloroethyl)-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(2-chloroethyl)-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one Formula: C11H12ClN3O MolecularWeight: 237.68548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=O)N2CCCl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=O)N2CCCl

InChI

InChI=1S/C11H12ClN3O/c12-6-7-15-10(13-14-11(15)16)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,16)