(2R)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2R)-4-(1,3-benzoxazol-2-ylthio)-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(1,3-benzoxazol-2-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2R)-4-(1,3-benzoxazol-2-ylthio)-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C15H11N3O2S2 MolecularWeight: 329.39674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H11N3O2S2/c1-9-7-21-14(17-9)10(6-16)12(19)8-22-15-18-11-4-2-3-5-13(11)20-15/h2-5,7,10H,8H2,1H3/t10-/m1/s1