N-[3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]phenyl]thiophene-2-carboxamide Formula: C21H18N6O2S2 MolecularWeight: 450.53662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C21H18N6O2S2/c1-27-19(14-7-9-22-10-8-14)25-26-21(27)31-13-18(28)23-15-4-2-5-16(12-15)24-20(29)17-6-3-11-30-17/h2-12H,13H2,1H3,(H,23,28)(H,24,29)