3-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(m-tolyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylphenyl)-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: m-tolyl-[4-(4-nitrophenyl)-3-piperonyl-4-thiazolin-2-ylidene]amine Formula: C24H19N3O4S MolecularWeight: 445.49036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19N3O4S/c1-16-3-2-4-19(11-16)25-24-26(13-17-5-10-22-23(12-17)31-15-30-22)21(14-32-24)18-6-8-20(9-7-18)27(28)29/h2-12,14H,13,15H2,1H3