1-[(E)-[5-(1-oxidanylidene-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[5-(1-oxidanylidene-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furyl]methyleneamino]thiourea CAS Name: [(E)-[5-(1-oxo-3H-isobenzofuran-5-yl)-2-furanyl]methylideneamino]thiourea IUPAC Name: [(E)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[5-(1-ketophthalan-5-yl)-2-furyl]methyleneamino]thiourea Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C3=CC=C(O3)C=NNC(=S)N)C(=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)C3=CC=C(O3)/C=N/NC(=S)N)C(=O)O1

InChI

InChI=1S/C14H11N3O3S/c15-14(21)17-16-6-10-2-4-12(20-10)8-1-3-11-9(5-8)7-19-13(11)18/h1-6H,7H2,(H3,15,17,21)/b16-6+