methyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N'-prop-2-ynyl-carbamimidothioate

Systemtic Name: methyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N'-prop-2-ynyl-carbamimidothioate Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-2-methyl-3-prop-2-ynyl-isothiourea CAS Name: N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N'-prop-2-ynylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N'-prop-2-ynylcarbamimidothioate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-2-methyl-3-propargyl-isothiourea Formula: C10H13N3O3S2 MolecularWeight: 287.35852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC(=NCC#C)SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC(=NCC#C)SC

InChI

InChI=1S/C10H13N3O3S2/c1-5-6-11-10(17-4)13-18(14,15)9-7(2)12-16-8(9)3/h1H,6H2,2-4H3,(H,11,13)