3-methyl-5-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(2-methylsulfonyl-1-benzimidazolyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(2-mesylbenzimidazol-1-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-14-16(12-21)19(25(23-14)15-8-4-3-5-9-15)13-24-18-11-7-6-10-17(18)22-20(24)28(2,26)27/h3-11H,13H2,1-2H3