N-(3-methylbutyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-isopentyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-isoamyl-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CC(C)CCNC(=O)CSCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C17H23N3OS/c1-14(2)8-10-18-17(21)13-22-12-15-4-6-16(7-5-15)20-11-3-9-19-20/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,18,21)