3-fluoranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C20H14FN5OS MolecularWeight: 391.421463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H14FN5OS/c21-14-6-4-5-13(11-14)19(27)23-20(28)22-15-9-10-17-18(12-15)25-26(24-17)16-7-2-1-3-8-16/h1-12H,(H2,22,23,27,28)