N-hexyl-3-(3-sulfanylidene-1H-pyrazol-2-yl)benzamide

Systemtic Name: N-hexyl-3-(3-sulfanylidene-1H-pyrazol-2-yl)benzamide Openeye Name: N-hexyl-3-(3-thioxo-1H-pyrazol-2-yl)benzamide CAS Name: N-hexyl-3-(3-sulfanylidene-1H-pyrazol-2-yl)benzamide IUPAC Name: N-hexyl-3-(3-sulfanylidene-1H-pyrazol-2-yl)benzamide Traditional Name: N-hexyl-3-(5-thioxo-3-pyrazolin-1-yl)benzamide Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)N2C(=S)C=CN2

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)N2C(=S)C=CN2

InChI

InChI=1S/C16H21N3OS/c1-2-3-4-5-10-17-16(20)13-7-6-8-14(12-13)19-15(21)9-11-18-19/h6-9,11-12,18H,2-5,10H2,1H3,(H,17,20)