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

Systemtic Name: 3-chloranyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-chloro-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-chloro-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-chloro-1H-1,2,4-triazol-5-one Formula: C9H8ClN3O MolecularWeight: 209.63232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2Cl

InChI

InChI=1S/C9H8ClN3O/c10-8-11-12-9(14)13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14)