4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-[(benzylamino)-hydroxy-methylene]-3-oxo-butanenitrile CAS Name: 4-(1,3-benzoxazol-2-ylthio)-2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxobutanenitrile IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2-[(benzylamino)-hydroxymethylidene]-3-oxobutanenitrile Traditional Name: 2-[2-(1,3-benzoxazol-2-ylthio)acetyl]-3-(benzylamino)-3-hydroxy-acrylonitrile Formula: C19H15N3O3S MolecularWeight: 365.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C19H15N3O3S/c20-10-14(18(24)21-11-13-6-2-1-3-7-13)16(23)12-26-19-22-15-8-4-5-9-17(15)25-19/h1-9,21,24H,11-12H2