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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N)C4=CC=NC=C4

InChI

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