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

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(4-methylthiazol-2-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(4-methylthiazol-2-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C22H15N5O2S MolecularWeight: 413.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H15N5O2S/c1-15-14-30-22(24-15)17(12-23)11-18-13-26(19-5-3-2-4-6-19)25-21(18)16-7-9-20(10-8-16)27(28)29/h2-11,13-14H,1H3/b17-11+