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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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