1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine; ethanedioic acid

Systemtic Name: 1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine; ethanedioic acid Openeye Name: 1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine; oxalic acid CAS Name: 1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-[2-(phenylthio)ethyl]guanidine; oxalic acid IUPAC Name: 1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine; oxalic acid Traditional Name: 1-cyano-2-[4-(1H-imidazol-5-yl)butyl]-3-[2-(phenylthio)ethyl]guanidine; oxalic acid Formula: C19H24N6O4S MolecularWeight: 432.49666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=NCCCCC2=CN=CN2)NC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=NCCCCC2=CN=CN2)NC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22N6S.C2H2O4/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16;3-1(4)2(5)6/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22);(H,3,4)(H,5,6)