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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)acrylonitrile Formula: C25H23N5S MolecularWeight: 425.54862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3S2)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C2=NC3=CC=CC=C3S2)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5S/c1-18-21(16-19(17-26)24-27-22-12-6-7-13-23(22)31-24)25(29-14-8-3-9-15-29)30(28-18)20-10-4-2-5-11-20/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3/b19-16+