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

Systemtic Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(methylthio)propanamide IUPAC Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[3-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(methylthio)propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC=CC(=C1)C2=C(C=NN2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CSCCC(=O)NC1=CC=CC(=C1)C2=C(C=NN2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O2S/c1-27-10-9-18(25)22-14-6-4-5-13(11-14)19-15(12-21-24-19)20-23-16-7-2-3-8-17(16)26-20/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H,22,25)