(E)-1-(4-nitrophenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-nitrophenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(4-nitrophenyl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C/C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O3S/c27-21(18-8-11-20(12-9-18)26(28)29)13-10-19-16-25(15-17-5-2-1-3-6-17)24-23(19)22-7-4-14-30-22/h1-14,16H,15H2/b13-10+