(E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)acrylonitrile Formula: C24H21N5S MolecularWeight: 411.52204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3S2)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3S2)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5S/c1-17-20(15-18(16-25)23-26-21-11-5-6-12-22(21)30-23)24(28-13-7-8-14-28)29(27-17)19-9-3-2-4-10-19/h2-6,9-12,15H,7-8,13-14H2,1H3/b18-15+