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

Systemtic Name: 2-[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[5-piperidino-4-(p-tolyl)-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:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)N4CCCCC4

InChI

InChI=1S/C21H24N6O2S2/c1-14-5-7-15(8-6-14)27-20(26-10-3-2-4-11-26)24-25-21(27)31-13-17(28)23-19-16(18(22)29)9-12-30-19/h5-9,12H,2-4,10-11,13H2,1H3,(H2,22,29)(H,23,28)