methyl N'-tert-butyl-N-[[(2Z)-5,5-dicyano-3-methyl-penta-2,4-dien-2-yl]amino]carbamimidothioate

Systemtic Name: methyl N'-tert-butyl-N-[[(2Z)-5,5-dicyano-3-methyl-penta-2,4-dien-2-yl]amino]carbamimidothioate Openeye Name: 3-tert-butyl-1-[[(1Z)-4,4-dicyano-1,2-dimethyl-buta-1,3-dienyl]amino]-2-methyl-isothiourea CAS Name: N'-tert-butyl-N-[[(2Z)-5,5-dicyano-3-methylpenta-2,4-dien-2-yl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-tert-butyl-N-[[(2Z)-5,5-dicyano-3-methylpenta-2,4-dien-2-yl]amino]carbamimidothioate Traditional Name: 3-tert-butyl-1-[[(1Z)-4,4-dicyano-1,2-dimethyl-buta-1,3-dienyl]amino]-2-methyl-isothiourea Formula: C14H21N5S MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)NNC(=NC(C)(C)C)SC)C=C(C#N)C#N

Isomeric SMILES

C/C(=C(\C)/NNC(=NC(C)(C)C)SC)/C=C(C#N)C#N

InChI

InChI=1S/C14H21N5S/c1-10(7-12(8-15)9-16)11(2)18-19-13(20-6)17-14(3,4)5/h7,18H,1-6H3,(H,17,19)/b11-10-