5-chloranyl-2-(3-methylphenyl)-6-pyrrol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile

Systemtic Name: 5-chloranyl-2-(3-methylphenyl)-6-pyrrol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Openeye Name: 5-chloro-2-(m-tolyl)-6-pyrrol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile CAS Name: 5-chloro-2-(3-methylphenyl)-6-(1-pyrrolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile IUPAC Name: 5-chloro-2-(3-methylphenyl)-6-pyrrol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Traditional Name: 5-chloro-2-(m-tolyl)-6-pyrrol-1-yl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile Formula: C17H12ClN5 MolecularWeight: 321.76368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=C(N3N2)Cl)N4C=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=C(N3N2)Cl)N4C=CC=C4)C#N

InChI

InChI=1S/C17H12ClN5/c1-11-5-4-6-12(9-11)16-20-17-13(10-19)14(15(18)23(17)21-16)22-7-2-3-8-22/h2-9H,1H3,(H,20,21)