4-[[2-(2-methylprop-2-enylimino)-4-(4-nitrophenyl)-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(2-methylprop-2-enylimino)-4-(4-nitrophenyl)-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[[2-(2-methylallylimino)-4-(4-nitrophenyl)thiazol-3-yl]iminomethyl]benzonitrile CAS Name: 4-[[2-(2-methylprop-2-enylimino)-4-(4-nitrophenyl)-3-thiazolyl]iminomethyl]benzonitrile IUPAC Name: 4-[[2-(2-methylprop-2-enylimino)-4-(4-nitrophenyl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile Traditional Name: 4-[[2-(2-methylallylimino)-4-(4-nitrophenyl)-4-thiazolin-3-yl]iminomethyl]benzonitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN=C1N(C(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])N=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=C)CN=C1N(C(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])N=CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N5O2S/c1-15(2)12-23-21-25(24-13-17-5-3-16(11-22)4-6-17)20(14-29-21)18-7-9-19(10-8-18)26(27)28/h3-10,13-14H,1,12H2,2H3