(E)-1-(5-chloranylthiophen-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(5-chloranylthiophen-2-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(5-chloro-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-(5-chloro-2-thiophenyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(5-chloro-2-thienyl)prop-2-en-1-one Formula: C17H13ClN2OS MolecularWeight: 328.81592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H13ClN2OS/c18-17-9-8-16(22-17)15(21)7-6-14-10-19-20(12-14)11-13-4-2-1-3-5-13/h1-10,12H,11H2/b7-6+