[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: (2-guanidinothiazol-4-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(diaminomethylideneamino)-4-thiazolyl]methyl ester IUPAC Name: [2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-guanidinothiazol-4-yl)methyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CSC(=N2)N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CSC(=N2)N=C(N)N

InChI

InChI=1S/C12H14N4O3S2/c1-8-2-4-10(5-3-8)21(17,18)19-6-9-7-20-12(15-9)16-11(13)14/h2-5,7H,6H2,1H3,(H4,13,14,15,16)