N-butyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-butyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-butyl-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-butyl-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-butyl-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-butyl-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

Isomeric SMILES

CCCCN(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)N3CCCCC3

InChI

InChI=1S/C21H31N5O2S/c1-4-5-13-24(2)19(27)16-29-21-23-22-20(25-14-9-6-10-15-25)26(21)17-11-7-8-12-18(17)28-3/h7-8,11-12H,4-6,9-10,13-16H2,1-3H3