1-(phenylsulfanylmethyl)-4H-cinnoline-3-carboxamide

Systemtic Name: 1-(phenylsulfanylmethyl)-4H-cinnoline-3-carboxamide Openeye Name: 1-(phenylsulfanylmethyl)-4H-cinnoline-3-carboxamide CAS Name: 1-[(phenylthio)methyl]-4H-cinnoline-3-carboxamide IUPAC Name: 1-(phenylsulfanylmethyl)-4H-cinnoline-3-carboxamide Traditional Name: 1-[(phenylthio)methyl]-4H-cinnoline-3-carboxamide Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(N=C1C(=O)N)CSC3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2N(N=C1C(=O)N)CSC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c17-16(20)14-10-12-6-4-5-9-15(12)19(18-14)11-21-13-7-2-1-3-8-13/h1-9H,10-11H2,(H2,17,20)