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

Systemtic Name: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-nitrophenyl)-3-oxo-2-[4-(p-tolyl)thiazol-2-yl]propanenitrile CAS Name: 2-[4-(4-methylphenyl)-2-thiazolyl]-3-(4-nitrophenyl)-3-oxopropanenitrile IUPAC Name: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)-3-oxopropanenitrile Traditional Name: 3-keto-3-(4-nitrophenyl)-2-[4-(p-tolyl)thiazol-2-yl]propionitrile Formula: C19H13N3O3S MolecularWeight: 363.38982

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O3S/c1-12-2-4-13(5-3-12)17-11-26-19(21-17)16(10-20)18(23)14-6-8-15(9-7-14)22(24)25/h2-9,11,16H,1H3