1-[(E)-(6-methoxy-5,8-dinitro-quinolin-2-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(6-methoxy-5,8-dinitro-quinolin-2-yl)methylideneamino]thiourea Openeye Name: [(E)-(6-methoxy-5,8-dinitro-2-quinolyl)methyleneamino]thiourea CAS Name: [(E)-(6-methoxy-5,8-dinitro-2-quinolinyl)methylideneamino]thiourea IUPAC Name: [(E)-(6-methoxy-5,8-dinitroquinolin-2-yl)methylideneamino]thiourea Traditional Name: [(E)-(6-methoxy-5,8-dinitro-2-quinolyl)methyleneamino]thiourea Formula: C12H10N6O5S MolecularWeight: 350.31

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N6O5S/c1-23-9-4-8(17(19)20)10-7(11(9)18(21)22)3-2-6(15-10)5-14-16-12(13)24/h2-5H,1H3,(H3,13,16,24)/b14-5+