(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C21H16ClN5 MolecularWeight: 373.83824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3N2C)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3N2C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5/c1-14-17(20(22)27(25-14)16-8-4-3-5-9-16)12-15(13-23)21-24-18-10-6-7-11-19(18)26(21)2/h3-12H,1-2H3/b15-12+