methyl N-(2-azanylidene-3-cyano-5,6-dimethyl-pyridin-1-yl)-N'-tert-butyl-carbamimidothioate

Systemtic Name: methyl N-(2-azanylidene-3-cyano-5,6-dimethyl-pyridin-1-yl)-N'-tert-butyl-carbamimidothioate Openeye Name: 3-tert-butyl-1-(3-cyano-2-imino-5,6-dimethyl-1-pyridyl)-2-methyl-isothiourea CAS Name: N'-tert-butyl-N-(3-cyano-2-imino-5,6-dimethyl-1-pyridinyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-tert-butyl-N-(3-cyano-2-imino-5,6-dimethylpyridin-1-yl)carbamimidothioate Traditional Name: 3-tert-butyl-1-(3-cyano-2-imino-5,6-dimethyl-1-pyridyl)-2-methyl-isothiourea Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N)C(=C1)C#N)NC(=NC(C)(C)C)SC)C

Isomeric SMILES

CC1=C(N(C(=N)C(=C1)C#N)NC(=NC(C)(C)C)SC)C

InChI

InChI=1S/C14H21N5S/c1-9-7-11(8-15)12(16)19(10(9)2)18-13(20-6)17-14(3,4)5/h7,16H,1-6H3,(H,17,18)