methyl N'-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]carbamimidothioate

Systemtic Name: methyl N'-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]carbamimidothioate Openeye Name: 3-[(E)-1-(benzofuran-2-yl)ethylideneamino]-2-methyl-isothiourea CAS Name: N'-[(E)-1-(2-benzofuranyl)ethylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]carbamimidothioate Traditional Name: 3-[(E)-1-(benzofuran-2-yl)ethylideneamino]-2-methyl-isothiourea Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N)SC)C1=CC2=CC=CC=C2O1

Isomeric SMILES

C/C(=N\N=C(\N)/SC)/C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C12H13N3OS/c1-8(14-15-12(13)17-2)11-7-9-5-3-4-6-10(9)16-11/h3-7H,1-2H3,(H2,13,15)/b14-8+