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

Systemtic Name: 1-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[3-[(4-cyclohexylphenoxy)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C23H33N5O2S/c1-26-21(15-30-20-9-7-18(8-10-20)17-5-3-2-4-6-17)25-28(23(26)31)16-27-13-11-19(12-14-27)22(24)29/h7-10,17,19H,2-6,11-16H2,1H3,(H2,24,29)