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

Systemtic Name: methyl 1-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotic acid methyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

COC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C19H24N4O2S/c1-3-11-22-17(15-7-5-4-6-8-15)20-23(19(22)26)14-21-12-9-16(10-13-21)18(24)25-2/h3-8,16H,1,9-14H2,2H3