(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C22H17N5S MolecularWeight: 383.46888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H17N5S/c1-16-15-28-22(25-16)19(11-23)10-20-14-27(13-17-6-3-2-4-7-17)26-21(20)18-8-5-9-24-12-18/h2-10,12,14-15H,13H2,1H3/b19-10+