(3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethylidene)-2H-indole

Systemtic Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethylidene)-2H-indole Openeye Name: (3Z)-4,6-dinitro-1-(p-tolylsulfonyl)-3-(2-thienylmethylene)indoline CAS Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethylidene)-2H-indole IUPAC Name: (3Z)-1-(4-methylphenyl)sulfonyl-4,6-dinitro-3-(thiophen-2-ylmethylidene)-2H-indole Traditional Name: (3Z)-4,6-dinitro-3-(2-thenylidene)-1-tosyl-indoline Formula: C20H15N3O6S2 MolecularWeight: 457.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=CS3)C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=CS3)/C4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S2/c1-13-4-6-17(7-5-13)31(28,29)21-12-14(9-16-3-2-8-30-16)20-18(21)10-15(22(24)25)11-19(20)23(26)27/h2-11H,12H2,1H3/b14-9+