1-(phenoxymethyl)-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-(phenoxymethyl)-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-(phenoxymethyl)-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: N-(2-mercaptoethyl)-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: 1-(phenoxymethyl)-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: N-(2-mercaptoethyl)-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NCCS

Isomeric SMILES

C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NCCS

InChI

InChI=1S/C13H15N3O2S/c17-13(14-7-9-19)12-6-8-16(15-12)10-18-11-4-2-1-3-5-11/h1-6,8,19H,7,9-10H2,(H,14,17)