(E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H24N6O3S MolecularWeight: 536.60426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3/C=C(\C#N)/C4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C29H24N6O3S/c30-19-22(29-31-26-8-4-5-9-27(26)32-29)18-23-20-35(24-6-2-1-3-7-24)33-28(23)21-10-12-25(13-11-21)39(36,37)34-14-16-38-17-15-34/h1-13,18,20H,14-17H2,(H,31,32)/b22-18+