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

Systemtic Name: 2-[2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C23H22N6O2S2 MolecularWeight: 478.58978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C23H22N6O2S2/c1-14(2)16-7-3-4-8-18(16)29-21(15-6-5-10-25-12-15)27-28-23(29)33-13-19(30)26-22-17(20(24)31)9-11-32-22/h3-12,14H,13H2,1-2H3,(H2,24,31)(H,26,30)