N-[4-(4-chloranylphenoxy)phenyl]-2-propylsulfanyl-1,2-dihydropyridine-3-carboxamide

Systemtic Name: N-[4-(4-chloranylphenoxy)phenyl]-2-propylsulfanyl-1,2-dihydropyridine-3-carboxamide Openeye Name: N-[4-(4-chlorophenoxy)phenyl]-2-propylsulfanyl-1,2-dihydropyridine-3-carboxamide CAS Name: N-[4-(4-chlorophenoxy)phenyl]-2-(propylthio)-1,2-dihydropyridine-3-carboxamide IUPAC Name: N-[4-(4-chlorophenoxy)phenyl]-2-propylsulfanyl-1,2-dihydropyridine-3-carboxamide Traditional Name: N-[4-(4-chlorophenoxy)phenyl]-2-(propylthio)-1,2-dihydropyridine-3-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1C(=CC=CN1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCSC1C(=CC=CN1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-2-14-27-21-19(4-3-13-23-21)20(25)24-16-7-11-18(12-8-16)26-17-9-5-15(22)6-10-17/h3-13,21,23H,2,14H2,1H3,(H,24,25)