methyl N-cyano-N'-(3-oxidanylpropyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-oxidanylpropyl)carbamimidothioate Openeye Name: 1-cyano-3-(3-hydroxypropyl)-2-methyl-isothiourea CAS Name: N-cyano-N'-(3-hydroxypropyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-hydroxypropyl)carbamimidothioate Traditional Name: 1-cyano-3-(3-hydroxypropyl)-2-methyl-isothiourea Formula: C6H11N3OS MolecularWeight: 173.23604

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCO)NC#N

Isomeric SMILES

CSC(=NCCCO)NC#N

InChI

InChI=1S/C6H11N3OS/c1-11-6(9-5-7)8-3-2-4-10/h10H,2-4H2,1H3,(H,8,9)