ethyl (E)-3-[2-(5-azanyl-1-tert-butyl-3-methylsulfanyl-pyrazol-4-yl)carbonylhydrazinyl]-2-cyano-but-2-enoate

Systemtic Name: ethyl (E)-3-[2-(5-azanyl-1-tert-butyl-3-methylsulfanyl-pyrazol-4-yl)carbonylhydrazinyl]-2-cyano-but-2-enoate Openeye Name: ethyl (E)-3-[2-(5-amino-1-tert-butyl-3-methylsulfanyl-pyrazole-4-carbonyl)hydrazino]-2-cyano-but-2-enoate CAS Name: (E)-3-[[[5-amino-1-tert-butyl-3-(methylthio)-4-pyrazolyl]-oxomethyl]hydrazo]-2-cyano-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(5-amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carbonyl)hydrazinyl]-2-cyanobut-2-enoate Traditional Name: (E)-3-[N'-[5-amino-1-tert-butyl-3-(methylthio)pyrazole-4-carbonyl]hydrazino]-2-cyano-but-2-enoic acid ethyl ester Formula: C16H24N6O3S MolecularWeight: 380.46516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)NNC(=O)C1=C(N(N=C1SC)C(C)(C)C)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C)/NNC(=O)C1=C(N(N=C1SC)C(C)(C)C)N)/C#N

InChI

InChI=1S/C16H24N6O3S/c1-7-25-15(24)10(8-17)9(2)19-20-13(23)11-12(18)22(16(3,4)5)21-14(11)26-6/h19H,7,18H2,1-6H3,(H,20,23)/b10-9+