phenyl N'-[2-azanyl-5-(phenylsulfinyl)phenyl]-N-cyano-carbamimidate

Systemtic Name: phenyl N'-[2-azanyl-5-(phenylsulfinyl)phenyl]-N-cyano-carbamimidate Openeye Name: 3-[2-amino-5-(benzenesulfinyl)phenyl]-1-cyano-2-phenyl-isourea CAS Name: N'-[2-amino-5-(benzenesulfinyl)phenyl]-N-cyanocarbamimidic acid phenyl ester IUPAC Name: phenyl N'-[2-amino-5-(benzenesulfinyl)phenyl]-N-cyanocarbamimidate Traditional Name: 3-[2-amino-5-(benzenesulfinyl)phenyl]-1-cyano-2-phenyl-isourea Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=NC2=C(C=CC(=C2)S(=O)C3=CC=CC=C3)N)NC#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=NC2=C(C=CC(=C2)S(=O)C3=CC=CC=C3)N)NC#N

InChI

InChI=1S/C20H16N4O2S/c21-14-23-20(26-15-7-3-1-4-8-15)24-19-13-17(11-12-18(19)22)27(25)16-9-5-2-6-10-16/h1-13H,22H2,(H,23,24)