(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H17ClN4OS/c20-18-14-4-1-2-5-15(14)26-16(18)6-7-17(25)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h1-9H,10-13H2/b7-6+