methyl 1-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H26N4O3S/c1-4-11-23-18(16-7-5-6-8-17(16)26-2)21-24(20(23)28)14-22-12-9-15(10-13-22)19(25)27-3/h4-8,15H,1,9-14H2,2-3H3