tert-butyl 2-azanyl-2-[3-[[azanyl(ethylsulfanyl)methylidene]amino]-2-methyl-6-pyrazol-1-yl-phenyl]ethanoate

Systemtic Name: tert-butyl 2-azanyl-2-[3-[[azanyl(ethylsulfanyl)methylidene]amino]-2-methyl-6-pyrazol-1-yl-phenyl]ethanoate Openeye Name: tert-butyl 2-amino-2-[3-[[amino(ethylsulfanyl)methylene]amino]-2-methyl-6-pyrazol-1-yl-phenyl]acetate CAS Name: 2-amino-2-[3-[[amino-(ethylthio)methylidene]amino]-2-methyl-6-(1-pyrazolyl)phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-2-[3-[[amino(ethylsulfanyl)methylidene]amino]-2-methyl-6-pyrazol-1-ylphenyl]acetate Traditional Name: 2-amino-2-[3-[[amino-(ethylthio)methylene]amino]-2-methyl-6-pyrazol-1-yl-phenyl]acetic acid tert-butyl ester Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=C(C(=C(C=C1)N2C=CC=N2)C(C(=O)OC(C)(C)C)N)C)N

Isomeric SMILES

CCSC(=NC1=C(C(=C(C=C1)N2C=CC=N2)C(C(=O)OC(C)(C)C)N)C)N

InChI

InChI=1S/C19H27N5O2S/c1-6-27-18(21)23-13-8-9-14(24-11-7-10-22-24)15(12(13)2)16(20)17(25)26-19(3,4)5/h7-11,16H,6,20H2,1-5H3,(H2,21,23)