3-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide

Systemtic Name: 3-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide Openeye Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide CAS Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[(phenylthio)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide Traditional Name: 3-(2-keto-1,3-benzoxazol-3-yl)-N-[1-[(phenylthio)methyl]pyrazol-4-yl]propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)SCN2C=C(C=N2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H18N4O3S/c25-19(10-11-24-17-8-4-5-9-18(17)27-20(24)26)22-15-12-21-23(13-15)14-28-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14H2,(H,22,25)