N-(2,6-diethylphenyl)-4-(3-nitrophenyl)-3-(4-phenylbutan-2-yl)-1,3-thiazol-2-imine

Systemtic Name: N-(2,6-diethylphenyl)-4-(3-nitrophenyl)-3-(4-phenylbutan-2-yl)-1,3-thiazol-2-imine Openeye Name: N-(2,6-diethylphenyl)-3-(1-methyl-3-phenyl-propyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: N-(2,6-diethylphenyl)-4-(3-nitrophenyl)-3-(4-phenylbutan-2-yl)-2-thiazolimine IUPAC Name: N-(2,6-diethylphenyl)-4-(3-nitrophenyl)-3-(4-phenylbutan-2-yl)-1,3-thiazol-2-imine Traditional Name: (2,6-diethylphenyl)-[3-(1-methyl-3-phenyl-propyl)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]amine Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2S/c1-4-23-13-9-14-24(5-2)28(23)30-29-31(21(3)17-18-22-11-7-6-8-12-22)27(20-35-29)25-15-10-16-26(19-25)32(33)34/h6-16,19-21H,4-5,17-18H2,1-3H3