[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-(3-pyridyl)methanone Formula: C19H15ClN4O4S MolecularWeight: 430.8648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN4O4S/c20-16-14-4-3-13(24(27)28)10-15(14)29-17(16)19(26)23-8-6-22(7-9-23)18(25)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2