[3-(carbamimidoylsulfanylmethyl)-2-cyano-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2-cyano-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2-cyano-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2-cyanophenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2-cyanophenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-2-cyano-benzyl]isothiourea Formula: C11H13N5S2 MolecularWeight: 279.38442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CSC(=N)N)C#N)CSC(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)CSC(=N)N)C#N)CSC(=N)N

InChI

InChI=1S/C11H13N5S2/c12-4-9-7(5-17-10(13)14)2-1-3-8(9)6-18-11(15)16/h1-3H,5-6H2,(H3,13,14)(H3,15,16)