1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[3-(3,4-dimethoxyphenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C(=O)N)OC

InChI

InChI=1S/C23H27N5O3S/c1-30-19-9-8-17(14-20(19)31-2)22-25-27(15-26-12-10-16(11-13-26)21(24)29)23(32)28(22)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H2,24,29)