ethyl 1-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(2-methyl-3-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylfuran-3-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(2-methyl-3-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(OC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=C(OC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S/c1-3-28-21(27)17-9-12-24(13-10-17)15-25-22(30)26(18-7-5-4-6-8-18)20(23-25)19-11-14-29-16(19)2/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3