1-[(E)-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-(4-methoxy-2-nitro-phenyl)furan-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methyleneamino]thiourea CAS Name: [(E)-[5-(4-methoxy-2-nitrophenyl)-2-furanyl]methylideneamino]thiourea IUPAC Name: [(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[5-(4-methoxy-2-nitro-phenyl)-2-furyl]methyleneamino]thiourea Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=C(O2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=C(O2)/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c1-20-8-2-4-10(11(6-8)17(18)19)12-5-3-9(21-12)7-15-16-13(14)22/h2-7H,1H3,(H3,14,16,22)/b15-7+