(E)-2-[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-yl-prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-yl-prop-2-enenitrile Openeye Name: (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiazol-2-yl]-3-(2-thienyl)prop-2-enenitrile CAS Name: (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiazolyl]-3-thiophen-2-yl-2-propenenitrile IUPAC Name: (E)-2-[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile Traditional Name: (E)-2-[4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiazol-2-yl]-3-(2-thienyl)acrylonitrile Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=N3)C(=CC4=CC=CS4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=N3)/C(=C/C4=CC=CS4)/C#N

InChI

InChI=1S/C21H16N4OS2/c1-14-19(21(26)25(24(14)2)16-7-4-3-5-8-16)18-13-28-20(23-18)15(12-22)11-17-9-6-10-27-17/h3-11,13H,1-2H3/b15-11+