methyl (NE)-N'-azanyl-N-[1-(1-benzofuran-2-yl)ethylidene]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(=NN)SC)C1=CC2=CC=CC=C2O1

Isomeric SMILES

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

InChI

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