3-(4-methylphenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(p-tolyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: N-(2-mercaptoethyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(2-mercaptoethyl)-3-(p-tolyl)-1H-pyrazole-5-carboxamide Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCS

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCS

InChI

InChI=1S/C13H15N3OS/c1-9-2-4-10(5-3-9)11-8-12(16-15-11)13(17)14-6-7-18/h2-5,8,18H,6-7H2,1H3,(H,14,17)(H,15,16)