3-(2-azanyl-3-ethyl-phenyl)-4-(4-phenyl-1,3-thiazol-2-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(2-azanyl-3-ethyl-phenyl)-4-(4-phenyl-1,3-thiazol-2-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(2-amino-3-ethyl-phenyl)-4-(4-phenylthiazol-2-yl)cyclobut-3-ene-1,2-dione CAS Name: 3-(2-amino-3-ethylphenyl)-4-(4-phenyl-2-thiazolyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(2-amino-3-ethylphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(2-amino-3-ethyl-phenyl)-4-(4-phenylthiazol-2-yl)cyclobut-3-ene-1,2-quinone Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N)C2=C(C(=O)C2=O)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC(=C1N)C2=C(C(=O)C2=O)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S/c1-2-12-9-6-10-14(18(12)22)16-17(20(25)19(16)24)21-23-15(11-26-21)13-7-4-3-5-8-13/h3-11H,2,22H2,1H3