5-benzamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-benzamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Openeye Name: 5-benzamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-benzamido-3-(pentylthio)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-benzamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(amylthio)-5-benzamido-1H-pyrazole-4-carboxylic acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3S/c1-2-3-7-10-23-15-12(16(21)22)13(18-19-15)17-14(20)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,21,22)(H2,17,18,19,20)