N-(2-methylsulfanylphenyl)-3-propoxy-1-propyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-propoxy-1-propyl-pyrazole-4-carboxamide Openeye Name: N-(2-methylsulfanylphenyl)-3-propoxy-1-propyl-pyrazole-4-carboxamide CAS Name: N-[2-(methylthio)phenyl]-3-propoxy-1-propyl-4-pyrazolecarboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-propoxy-1-propylpyrazole-4-carboxamide Traditional Name: N-[2-(methylthio)phenyl]-3-propoxy-1-propyl-pyrazole-4-carboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)OCCC)C(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCCN1C=C(C(=N1)OCCC)C(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C17H23N3O2S/c1-4-10-20-12-13(17(19-20)22-11-5-2)16(21)18-14-8-6-7-9-15(14)23-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)