2-azanyl-N3-(4-bromophenyl)-6-pentylsulfanyl-pyridine-3,5-dicarboxamide

Systemtic Name: 2-azanyl-N3-(4-bromophenyl)-6-pentylsulfanyl-pyridine-3,5-dicarboxamide Openeye Name: 2-amino-N3-(4-bromophenyl)-6-pentylsulfanyl-pyridine-3,5-dicarboxamide CAS Name: 2-amino-N3-(4-bromophenyl)-6-(pentylthio)pyridine-3,5-dicarboxamide IUPAC Name: 2-amino-3-N-(4-bromophenyl)-6-pentylsulfanylpyridine-3,5-dicarboxamide Traditional Name: 2-amino-6-(amylthio)-N-(4-bromophenyl)dinicotinamide Formula: C18H21BrN4O2S MolecularWeight: 437.35394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

CCCCCSC1=C(C=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C18H21BrN4O2S/c1-2-3-4-9-26-18-14(16(21)24)10-13(15(20)23-18)17(25)22-12-7-5-11(19)6-8-12/h5-8,10H,2-4,9H2,1H3,(H2,20,23)(H2,21,24)(H,22,25)