6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 6-(2-chlorophenyl)-8-isocyanato-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C17H10ClN5O MolecularWeight: 335.7472

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=CN2C3=C(C=C(C=C3)N=C=O)C(=N1)C4=CC=CC=C4Cl

Isomeric SMILES

C1C2=NN=CN2C3=C(C=C(C=C3)N=C=O)C(=N1)C4=CC=CC=C4Cl

InChI

InChI=1S/C17H10ClN5O/c18-14-4-2-1-3-12(14)17-13-7-11(20-10-24)5-6-15(13)23-9-21-22-16(23)8-19-17/h1-7,9H,8H2