1-[(2-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: N-(2-mercaptoethyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: N-(2-mercaptoethyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NCCS

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NCCS

InChI

InChI=1S/C13H14N4O4S/c18-13(14-6-8-22)10-5-7-16(15-10)9-21-12-4-2-1-3-11(12)17(19)20/h1-5,7,22H,6,8-9H2,(H,14,18)