3-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

Systemtic Name: 3-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide Openeye Name: 3-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyl-N-thiazol-2-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide CAS Name: 3-[[4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]thio]-N-(2-thiazolyl)-6-(1H-1,2,4-triazol-5-ylthio)-2-pyridinecarboxamide IUPAC Name: 3-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfanyl-N-(1,3-thiazol-2-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide Traditional Name: 3-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]thio]-N-thiazol-2-yl-6-(1H-1,2,4-triazol-5-ylthio)picolinamide Formula: C22H21N7O2S3 MolecularWeight: 511.64284

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=CC=C(C=C2)SC3=C(N=C(C=C3)SC4=NC=NN4)C(=O)NC5=NC=CS5

Isomeric SMILES

CN1CCC(C1)OC2=CC=C(C=C2)SC3=C(N=C(C=C3)SC4=NC=NN4)C(=O)NC5=NC=CS5

InChI

InChI=1S/C22H21N7O2S3/c1-29-10-8-15(12-29)31-14-2-4-16(5-3-14)33-17-6-7-18(34-22-24-13-25-28-22)26-19(17)20(30)27-21-23-9-11-32-21/h2-7,9,11,13,15H,8,10,12H2,1H3,(H,23,27,30)(H,24,25,28)