methyl N-cyano-N'-pent-4-ynyl-carbamimidothioate

Systemtic Name: methyl N-cyano-N'-pent-4-ynyl-carbamimidothioate Openeye Name: 1-cyano-2-methyl-3-pent-4-ynyl-isothiourea CAS Name: N-cyano-N'-pent-4-ynylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-pent-4-ynylcarbamimidothioate Traditional Name: 1-cyano-2-methyl-3-pent-4-ynyl-isothiourea Formula: C8H11N3S MolecularWeight: 181.25804

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCC#C)NC#N

Isomeric SMILES

CSC(=NCCCC#C)NC#N

InChI

InChI=1S/C8H11N3S/c1-3-4-5-6-10-8(12-2)11-7-9/h1H,4-6H2,2H3,(H,10,11)