3-[2-[2-(3-azanyl-3-cyanoimino-propyl)phenyl]sulfanylphenyl]-N'-cyano-propanimidamide

Systemtic Name: 3-[2-[2-(3-azanyl-3-cyanoimino-propyl)phenyl]sulfanylphenyl]-N'-cyano-propanimidamide Openeye Name: 3-[2-[2-(3-amino-3-cyanoimino-propyl)phenyl]sulfanylphenyl]-N'-cyano-propanamidine CAS Name: 3-[2-[[2-(3-amino-3-cyanoiminopropyl)phenyl]thio]phenyl]-N'-cyanopropanimidamide IUPAC Name: 3-[2-[2-(3-amino-3-cyanoiminopropyl)phenyl]sulfanylphenyl]-N'-cyanopropanimidamide Traditional Name: 3-[2-[[2-(3-amino-3-cyanoimino-propyl)phenyl]thio]phenyl]-N'-cyano-propionamidine Formula: C20H20N6S MolecularWeight: 376.478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=NC#N)N)SC2=CC=CC=C2CCC(=NC#N)N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=NC#N)N)SC2=CC=CC=C2CCC(=NC#N)N

InChI

InChI=1S/C20H20N6S/c21-13-25-19(23)11-9-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)10-12-20(24)26-14-22/h1-8H,9-12H2,(H2,23,25)(H2,24,26)