2-[2-cyanoethylsulfanyl(1,3-thiazol-4-yl)methyl]guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[2-cyanoethylsulfanyl(1,3-thiazol-4-yl)methyl]guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[2-cyanoethylsulfanyl(thiazol-4-yl)methyl]guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(2-cyanoethylthio)-(4-thiazolyl)methyl]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[2-cyanoethylsulfanyl(1,3-thiazol-4-yl)methyl]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(2-cyanoethylthio)-thiazol-4-yl-methyl]guanidine; tosylic acid Formula: C15H19N5O3S3 MolecularWeight: 413.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(N=CS1)C(N=C(N)N)SCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(N=CS1)C(N=C(N)N)SCCC#N

InChI

InChI=1S/C8H11N5S2.C7H8O3S/c9-2-1-3-15-7(13-8(10)11)6-4-14-5-12-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7H,1,3H2,(H4,10,11,13);2-5H,1H3,(H,8,9,10)