3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-N-ethyl-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-N-ethyl-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-N-ethyl-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-N-ethyl-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-N-ethyl-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylene-[2-ethylimino-4-(4-nitrophenyl)-4-thiazolin-3-yl]amine Formula: C29H22N6O3S MolecularWeight: 534.58838

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])N=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

Isomeric SMILES

CCN=C1N(C(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])N=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6

InChI

InChI=1S/C29H22N6O3S/c1-2-30-29-34(25(19-39-29)20-12-14-24(15-13-20)35(36)37)31-17-22-18-33(23-9-4-3-5-10-23)32-28(22)27-16-21-8-6-7-11-26(21)38-27/h3-19H,2H2,1H3