3-(4-methoxyphenyl)sulfanyl-N-pyrimidin-4-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-pyrimidin-4-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-pyrimidin-4-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(4-pyrimidinyl)-6-(1H-1,2,4-triazol-5-ylthio)-2-pyridinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-pyrimidin-4-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxamide Traditional Name: 3-[(4-methoxyphenyl)thio]-N-(4-pyrimidyl)-6-(1H-1,2,4-triazol-5-ylthio)picolinamide Formula: C19H15N7O2S2 MolecularWeight: 437.4981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(N=C(C=C2)SC3=NC=NN3)C(=O)NC4=NC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(N=C(C=C2)SC3=NC=NN3)C(=O)NC4=NC=NC=C4

InChI

InChI=1S/C19H15N7O2S2/c1-28-12-2-4-13(5-3-12)29-14-6-7-16(30-19-22-11-23-26-19)25-17(14)18(27)24-15-8-9-20-10-21-15/h2-11H,1H3,(H,22,23,26)(H,20,21,24,27)