3-(4-methylphenyl)-4-(thiophen-2-ylmethylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(4-methylphenyl)-4-(thiophen-2-ylmethylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(p-tolyl)-4-(2-thienylmethylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(4-methylphenyl)-4-(thiophen-2-ylmethylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(4-methylphenyl)-4-(thiophen-2-ylmethylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(p-tolyl)-4-(2-thenylamino)cyclobut-3-ene-1,2-quinone Formula: C16H13NO2S MolecularWeight: 283.34492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C2=O)NCC3=CC=CS3

InChI

InChI=1S/C16H13NO2S/c1-10-4-6-11(7-5-10)13-14(16(19)15(13)18)17-9-12-3-2-8-20-12/h2-8,17H,9H2,1H3