1-[(E)-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]thiourea Openeye Name: [(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]thiourea CAS Name: [(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea IUPAC Name: [(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]thiourea Traditional Name: [(E)-(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)amino]thiourea Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=S)N)Cl)OCC#C

InChI

InChI=1S/C13H14ClN3O2S/c1-3-5-19-12-10(14)6-9(7-11(12)18-4-2)8-16-17-13(15)20/h1,6-8H,4-5H2,2H3,(H3,15,17,20)/b16-8+