N-[2-[4-(3-methylbutylsulfanyl)phenyl]-1-oxidanyl-2-oxidanylidene-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[2-[4-(3-methylbutylsulfanyl)phenyl]-1-oxidanyl-2-oxidanylidene-ethyl]pyrazine-2-carboxamide Openeye Name: N-[1-hydroxy-2-(4-isopentylsulfanylphenyl)-2-oxo-ethyl]pyrazine-2-carboxamide CAS Name: N-[1-hydroxy-2-[4-(3-methylbutylthio)phenyl]-2-oxoethyl]-2-pyrazinecarboxamide IUPAC Name: N-[1-hydroxy-2-[4-(3-methylbutylsulfanyl)phenyl]-2-oxoethyl]pyrazine-2-carboxamide Traditional Name: N-[1-hydroxy-2-[4-(isoamylthio)phenyl]-2-keto-ethyl]pyrazinamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O

InChI

InChI=1S/C18H21N3O3S/c1-12(2)7-10-25-14-5-3-13(4-6-14)16(22)18(24)21-17(23)15-11-19-8-9-20-15/h3-6,8-9,11-12,18,24H,7,10H2,1-2H3,(H,21,23)