N-(2-phenylsulfanylethyl)-2-pyrazol-1-yl-benzamide

Systemtic Name: N-(2-phenylsulfanylethyl)-2-pyrazol-1-yl-benzamide Openeye Name: N-(2-phenylsulfanylethyl)-2-pyrazol-1-yl-benzamide CAS Name: N-[2-(phenylthio)ethyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-(2-phenylsulfanylethyl)-2-pyrazol-1-ylbenzamide Traditional Name: N-[2-(phenylthio)ethyl]-2-pyrazol-1-yl-benzamide Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)C2=CC=CC=C2N3C=CC=N3

InChI

InChI=1S/C18H17N3OS/c22-18(19-12-14-23-15-7-2-1-3-8-15)16-9-4-5-10-17(16)21-13-6-11-20-21/h1-11,13H,12,14H2,(H,19,22)