N-butyl-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine-2-carboxamide

Systemtic Name: N-butyl-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine-2-carboxamide Openeye Name: N-butyl-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine-2-carboxamide CAS Name: N-butyl-3-[(4-methoxyphenyl)methylthio]-2-pyrazinecarboxamide IUPAC Name: N-butyl-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine-2-carboxamide Traditional Name: N-butyl-3-(p-anisylthio)pyrazinamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC=CN=C1SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCNC(=O)C1=NC=CN=C1SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N3O2S/c1-3-4-9-19-16(21)15-17(20-11-10-18-15)23-12-13-5-7-14(22-2)8-6-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,21)