5-chloranyl-2-methylsulfanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrimidine-4-carboxamide Formula: C17H16ClN7O2S MolecularWeight: 417.87264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)N3C=NC=N3

InChI

InChI=1S/C17H16ClN7O2S/c1-10(25-9-19-8-21-25)15(26)22-11-3-5-12(6-4-11)23-16(27)14-13(18)7-20-17(24-14)28-2/h3-10H,1-2H3,(H,22,26)(H,23,27)