1-[(E)-(3-methylphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-[(E)-m-tolylmethyleneamino]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-[(E)-(3-methylphenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-[(E)-(3-methylbenzylidene)amino]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C22H17N5O2S2 MolecularWeight: 447.53268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N

Isomeric SMILES

CC1=CC=CC(=C1)/C=N/N2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N

InChI

InChI=1S/C22H17N5O2S2/c1-14-6-4-7-15(12-14)13-24-27-21(23)20(31(28,29)18-10-5-11-30-18)19-22(27)26-17-9-3-2-8-16(17)25-19/h2-13H,23H2,1H3/b24-13+