4-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C17H14BrN5O MolecularWeight: 384.22996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C=NN=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CN3C=NN=C3C#N

InChI

InChI=1S/C17H14BrN5O/c1-11-7-15(16(24)9-22-10-20-21-17(22)8-19)12(2)23(11)14-5-3-13(18)4-6-14/h3-7,10H,9H2,1-2H3