[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O3S/c23-16-8-9-19(20(15-16)27(29)30)25-11-13-26(14-12-25)22(28)18-7-4-10-24-21(18)31-17-5-2-1-3-6-17/h1-10,15H,11-14H2