[3-(hydroxymethyl)-2-methyl-1-benzofuran-5-yl]methyl carbamimidothioate

Systemtic Name: [3-(hydroxymethyl)-2-methyl-1-benzofuran-5-yl]methyl carbamimidothioate Openeye Name: 2-[[3-(hydroxymethyl)-2-methyl-benzofuran-5-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(hydroxymethyl)-2-methyl-5-benzofuranyl]methyl ester IUPAC Name: [3-(hydroxymethyl)-2-methyl-1-benzofuran-5-yl]methyl carbamimidothioate Traditional Name: 2-[(2-methyl-3-methylol-benzofuran-5-yl)methyl]isothiourea Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)CSC(=N)N)CO

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)CSC(=N)N)CO

InChI

InChI=1S/C12H14N2O2S/c1-7-10(5-15)9-4-8(6-17-12(13)14)2-3-11(9)16-7/h2-4,15H,5-6H2,1H3,(H3,13,14)