N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2S/c1-14(15-5-7-16(8-6-15)24(25)26)20-21-18(27)23-12-10-22(11-13-23)17-4-2-3-9-19-17/h2-9H,10-13H2,1H3,(H,21,27)/b20-14-