5-azanyl-1-[[3,5-bis(chloranyl)-4-cyano-phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[[3,5-bis(chloranyl)-4-cyano-phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(3,5-dichloro-4-cyano-phenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-1-[(3,5-dichloro-4-cyanophenyl)methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(3,5-dichloro-4-cyanophenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-1-(3,5-dichloro-4-cyano-benzyl)triazole-4-carboxamide Formula: C11H8Cl2N6O MolecularWeight: 311.12682

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)C#N)Cl)CN2C(=C(N=N2)C(=O)N)N

Isomeric SMILES

C1=C(C=C(C(=C1Cl)C#N)Cl)CN2C(=C(N=N2)C(=O)N)N

InChI

InChI=1S/C11H8Cl2N6O/c12-7-1-5(2-8(13)6(7)3-14)4-19-10(15)9(11(16)20)17-18-19/h1-2H,4,15H2,(H2,16,20)