tert-butyl 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate

Systemtic Name: tert-butyl 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate Openeye Name: tert-butyl 3-(p-tolyl)-2-thioxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate CAS Name: 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methylphenyl)-2-sulfanylidene-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate Traditional Name: 3-(p-tolyl)-2-thioxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylic acid tert-butyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S

InChI

InChI=1S/C19H25N3O2S/c1-13-5-7-14(8-6-13)15-16(25)21-19(20-15)9-11-22(12-10-19)17(23)24-18(2,3)4/h5-8H,9-12H2,1-4H3,(H,21,25)