N-[4-[4-(5-chloranyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[4-[4-(5-chloranyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(methylthio)propanamide IUPAC Name: N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[4-[4-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(methylthio)propionamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC=C(C=C1)C2=C(C=NN2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CSCCC(=O)NC1=CC=C(C=C1)C2=C(C=NN2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-28-9-8-18(26)23-14-5-2-12(3-6-14)19-15(11-22-25-19)20-24-16-10-13(21)4-7-17(16)27-20/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,26)