1-[(E)-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylideneamino]thiourea Openeye Name: [(E)-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]methyleneamino]thiourea CAS Name: [(E)-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]thiourea Traditional Name: [(E)-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]benzylidene]amino]thiourea Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)N)OC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c1-22-12-6-9(7-17-18-14(15)24)2-4-11(12)23-13-5-3-10(8-16-13)19(20)21/h2-8H,1H3,(H3,15,18,24)/b17-7+