1-[[4-[(6-fluoranylcyclohexa-1,5-dien-3-yn-1-yl)methoxy]-3-methoxy-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[[4-[(6-fluoranylcyclohexa-1,5-dien-3-yn-1-yl)methoxy]-3-methoxy-phenyl]methylideneamino]thiourea Openeye Name: [[4-[(6-fluorocyclohexa-1,5-dien-3-yn-1-yl)methoxy]-3-methoxy-phenyl]methyleneamino]thiourea CAS Name: [[4-[(6-fluoro-1-cyclohexa-1,5-dien-3-ynyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea IUPAC Name: [[4-[(6-fluorocyclohexa-1,5-dien-3-yn-1-yl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea Traditional Name: [[4-[(6-fluorocyclohexa-1,5-dien-3-yn-1-yl)methoxy]-3-methoxy-benzylidene]amino]thiourea Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC#CC=C2F

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC#CC=C2F

InChI

InChI=1S/C16H14FN3O2S/c1-21-15-8-11(9-19-20-16(18)23)6-7-14(15)22-10-12-4-2-3-5-13(12)17/h4-9H,10H2,1H3,(H3,18,20,23)