(E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[(4-chloranyl-3-nitro-phenyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-chloro-3-nitro-anilino)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-chloro-3-nitroanilino)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(4-chloro-3-nitroanilino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-chloro-3-nitro-anilino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C13H9ClN4O2S MolecularWeight: 320.75416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C13H9ClN4O2S/c1-8-7-21-13(17-8)9(5-15)6-16-10-2-3-11(14)12(4-10)18(19)20/h2-4,6-7,16H,1H3/b9-6+