methyl N'-but-3-ynyl-N-(4-methoxyphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N'-but-3-ynyl-N-(4-methoxyphenyl)sulfonyl-carbamimidothioate Openeye Name: 3-but-3-ynyl-1-(4-methoxyphenyl)sulfonyl-2-methyl-isothiourea CAS Name: N'-but-3-ynyl-N-(4-methoxyphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-but-3-ynyl-N-(4-methoxyphenyl)sulfonylcarbamimidothioate Traditional Name: 3-but-3-ynyl-1-(4-methoxyphenyl)sulfonyl-2-methyl-isothiourea Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC#C)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC#C)SC

InChI

InChI=1S/C13H16N2O3S2/c1-4-5-10-14-13(19-3)15-20(16,17)12-8-6-11(18-2)7-9-12/h1,6-9H,5,10H2,2-3H3,(H,14,15)