1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C13H13ClN4O4S MolecularWeight: 356.78472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O4S/c14-10-7-9(18(20)21)1-2-12(10)22-8-17-5-3-11(16-17)13(19)15-4-6-23/h1-3,5,7,23H,4,6,8H2,(H,15,19)