3-chloranyl-N-phenanthren-2-yl-benzo[g][1]benzothiole-2-carboxamide

Systemtic Name: 3-chloranyl-N-phenanthren-2-yl-benzo[g][1]benzothiole-2-carboxamide Openeye Name: 3-chloro-N-(2-phenanthryl)benzo[g]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(2-phenanthrenyl)-2-benzo[g][1]benzothiolecarboxamide IUPAC Name: 3-chloro-N-phenanthren-2-ylbenzo[g][1]benzothiole-2-carboxamide Traditional Name: 3-chloro-N-(2-phenanthryl)benzo[g]benzothiophene-2-carboxamide Formula: C27H16ClNOS MolecularWeight: 437.94004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)NC(=O)C4=C(C5=C(S4)C6=CC=CC=C6C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)NC(=O)C4=C(C5=C(S4)C6=CC=CC=C6C=C5)Cl

InChI

InChI=1S/C27H16ClNOS/c28-24-23-13-11-17-6-2-4-8-22(17)25(23)31-26(24)27(30)29-19-12-14-21-18(15-19)10-9-16-5-1-3-7-20(16)21/h1-15H,(H,29,30)