N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]acetamide Formula: C20H16ClN5OS2 MolecularWeight: 441.95694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=NC=CC(=N3)C4=CC=CS4)Cl

InChI

InChI=1S/C20H16ClN5OS2/c21-15-12-26(11-14-5-2-1-3-6-14)25-19(15)24-18(27)13-29-20-22-9-8-16(23-20)17-7-4-10-28-17/h1-10,12H,11,13H2,(H,24,25,27)