3-(5-azanyl-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione

Systemtic Name: 3-(5-azanyl-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione Openeye Name: 3-(5-amino-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione CAS Name: 3-(5-amino-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione IUPAC Name: 3-(5-amino-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione Traditional Name: 3-(5-amino-1,2,4-triazol-1-yl)-1-(4-chlorophenyl)-3-pyrroline-2,5-quinone Formula: C12H8ClN5O2 MolecularWeight: 289.67722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C=C(C2=O)N3C(=NC=N3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C=C(C2=O)N3C(=NC=N3)N)Cl

InChI

InChI=1S/C12H8ClN5O2/c13-7-1-3-8(4-2-7)17-10(19)5-9(11(17)20)18-12(14)15-6-16-18/h1-6H,(H2,14,15,16)