3-(3,5-dinitrophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(3,5-dinitrophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(3,5-dinitrophenyl)-3-oxo-2-[4-(p-tolyl)thiazol-2-yl]propanenitrile CAS Name: 3-(3,5-dinitrophenyl)-2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxopropanenitrile IUPAC Name: 3-(3,5-dinitrophenyl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxopropanenitrile Traditional Name: 3-(3,5-dinitrophenyl)-3-keto-2-[4-(p-tolyl)thiazol-2-yl]propionitrile Formula: C19H12N4O5S MolecularWeight: 408.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O5S/c1-11-2-4-12(5-3-11)17-10-29-19(21-17)16(9-20)18(24)13-6-14(22(25)26)8-15(7-13)23(27)28/h2-8,10,16H,1H3