[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C16H15ClN4O3S/c17-11-3-4-13(14(10-11)21(23)24)19-6-8-20(9-7-19)16(22)12-2-1-5-18-15(12)25/h1-5,10H,6-9H2,(H,18,25)