5-(benzimidazol-1-ylmethyl)-N-(3-methylsulfanylpropyl)-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(benzimidazol-1-ylmethyl)-N-(3-methylsulfanylpropyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-(benzimidazol-1-ylmethyl)-N-(3-methylsulfanylpropyl)-1H-pyrazole-3-carboxamide CAS Name: 5-(1-benzimidazolylmethyl)-N-[3-(methylthio)propyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-(3-methylsulfanylpropyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-(benzimidazol-1-ylmethyl)-N-[3-(methylthio)propyl]-1H-pyrazole-3-carboxamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=NNC(=C1)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CSCCCNC(=O)C1=NNC(=C1)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H19N5OS/c1-23-8-4-7-17-16(22)14-9-12(19-20-14)10-21-11-18-13-5-2-3-6-15(13)21/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,17,22)(H,19,20)