4-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-morpholino-3-nitro-benzylidene)amino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NN3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O3S/c26-25(27)16-11-13(4-5-15(16)23-7-9-28-10-8-23)12-20-24-17(21-22-18(24)29)14-3-1-2-6-19-14/h1-6,11-12H,7-10H2,(H,22,29)/b20-12+