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

Systemtic Name: 1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide CAS Name: 1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]isonipecotamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C17H23N5OS/c1-13-19-22(12-20-9-7-15(8-10-20)16(18)23)17(24)21(13)11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H2,18,23)