5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-1-phenyl-pyrazole-4-carbonitrile Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(C=NN3C4=CC=CC=C4)C#N)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(C=NN3C4=CC=CC=C4)C#N)N=C1N

InChI

InChI=1S/C20H18N6O2S/c1-13(2)29(27,28)26-18-10-14(8-9-17(18)24-20(26)22)19-15(11-21)12-23-25(19)16-6-4-3-5-7-16/h3-10,12-13H,1-2H3,(H2,22,24)