6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile

Systemtic Name: 6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Openeye Name: 6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile CAS Name: 6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile IUPAC Name: 6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Traditional Name: 6-isocyano-5-methyl-2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Formula: C14H9N5 MolecularWeight: 247.25476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2N1NC(=N2)C3=CC=CC=C3)C#N)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=C2N1NC(=N2)C3=CC=CC=C3)C#N)[N+]#[C-]

InChI

InChI=1S/C14H9N5/c1-9-12(16-2)11(8-15)14-17-13(18-19(9)14)10-6-4-3-5-7-10/h3-7H,1H3,(H,17,18)