2-[[5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile

Systemtic Name: 2-[[5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile Openeye Name: 2-[[5-methyl-2-[5-(3-nitrophenyl)thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-phenyl-methyl]propanedinitrile CAS Name: 2-[[5-methyl-2-[5-(3-nitrophenyl)-2-thiazolyl]-3-oxo-1H-pyrazol-4-yl]-phenylmethyl]propanedinitrile IUPAC Name: 2-[[5-methyl-2-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-phenylmethyl]propanedinitrile Traditional Name: 2-[[5-keto-3-methyl-1-[5-(3-nitrophenyl)thiazol-2-yl]-3-pyrazolin-4-yl]-phenyl-methyl]malononitrile Formula: C23H16N6O3S MolecularWeight: 456.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])C(C4=CC=CC=C4)C(C#N)C#N

InChI

InChI=1S/C23H16N6O3S/c1-14-20(21(17(11-24)12-25)15-6-3-2-4-7-15)22(30)28(27-14)23-26-13-19(33-23)16-8-5-9-18(10-16)29(31)32/h2-10,13,17,21,27H,1H3