[1-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-ylidene]methanone

Systemtic Name: [1-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-ylidene]methanone Openeye Name: [1-(6-chlorobenzothiophen-2-yl)sulfonyl-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazin-2-ylidene]methanone CAS Name: [1-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-2-piperazinylidene]methanone IUPAC Name: [1-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazin-2-ylidene]methanone Traditional Name: [1-(6-chlorobenzothiophen-2-yl)sulfonyl-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazin-2-ylidene]methanone Formula: C22H16ClN5O3S2 MolecularWeight: 497.97714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C=O)CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(C(=C=O)CN1C2=NC=C(C=N2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C22H16ClN5O3S2/c23-18-2-1-16-9-21(32-20(16)10-18)33(30,31)28-8-7-27(13-19(28)14-29)22-25-11-17(12-26-22)15-3-5-24-6-4-15/h1-6,9-12H,7-8,13H2