2-[2,3-bis(azanyl)-5-phenylsulfanyl-phenoxy]benzenecarbonitrile; N-(dimethylamino)methanamide

Systemtic Name: 2-[2,3-bis(azanyl)-5-phenylsulfanyl-phenoxy]benzenecarbonitrile; N-(dimethylamino)methanamide Openeye Name: 2-(2,3-diamino-5-phenylsulfanyl-phenoxy)benzonitrile; N-(dimethylamino)formamide CAS Name: 2-[2,3-diamino-5-(phenylthio)phenoxy]benzonitrile; N-(dimethylamino)formamide IUPAC Name: 2-(2,3-diamino-5-phenylsulfanylphenoxy)benzonitrile; N-(dimethylamino)formamide Traditional Name: 2-[2,3-diamino-5-(phenylthio)phenoxy]benzonitrile; N-(dimethylamino)formamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC=O.C1=CC=C(C=C1)SC2=CC(=C(C(=C2)N)N)OC3=CC=CC=C3C#N

Isomeric SMILES

CN(C)NC=O.C1=CC=C(C=C1)SC2=CC(=C(C(=C2)N)N)OC3=CC=CC=C3C#N

InChI

InChI=1S/C19H15N3OS.C3H8N2O/c20-12-13-6-4-5-9-17(13)23-18-11-15(10-16(21)19(18)22)24-14-7-2-1-3-8-14;1-5(2)4-3-6/h1-11H,21-22H2;3H,1-2H3,(H,4,6)