(2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(5-nitro-2-oxidanyl-phenyl)methylimino]propanenitrile

Systemtic Name: (2R)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(5-nitro-2-oxidanyl-phenyl)methylimino]propanenitrile Openeye Name: (2R)-3-[(2-hydroxy-5-nitro-phenyl)methylimino]-2-(4-methylthiazol-2-yl)propanenitrile CAS Name: (2R)-3-[(2-hydroxy-5-nitrophenyl)methylimino]-2-(4-methyl-2-thiazolyl)propanenitrile IUPAC Name: (2R)-3-[(2-hydroxy-5-nitrophenyl)methylimino]-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: (2R)-3-(2-hydroxy-5-nitro-benzyl)imino-2-(4-methylthiazol-2-yl)propionitrile Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@H](C=NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C14H12N4O3S/c1-9-8-22-14(17-9)11(5-15)7-16-6-10-4-12(18(20)21)2-3-13(10)19/h2-4,7-8,11,19H,6H2,1H3/t11-/m0/s1