2-[2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H24N6O2S2/c22-19(29)16-9-12-30-20(16)23-18(28)14-31-21-25-24-17(13-26-10-5-2-6-11-26)27(21)15-7-3-1-4-8-15/h1,3-4,7-9,12H,2,5-6,10-11,13-14H2,(H2,22,29)(H,23,28)