2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylene]thiazol-4-one CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-[(3-nitrophenyl)methylidene]-4-thiazolone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-[(3-nitrophenyl)methylidene]-1,3-thiazol-4-one Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-(3-nitrobenzylidene)-2-thiazolin-4-one Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3

InChI

InChI=1S/C20H17ClN4O3S/c21-15-4-2-5-16(13-15)23-7-9-24(10-8-23)20-22-19(26)18(29-20)12-14-3-1-6-17(11-14)25(27)28/h1-6,11-13H,7-10H2