2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; 2-[(E)-3-methylsulfanylpropylideneamino]guanidine

Systemtic Name: 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; 2-[(E)-3-methylsulfanylpropylideneamino]guanidine Openeye Name: 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid; 2-[(E)-3-methylsulfanylpropylideneamino]guanidine CAS Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; 2-[(E)-3-(methylthio)propylideneamino]guanidine IUPAC Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; 2-[(E)-3-methylsulfanylpropylideneamino]guanidine Traditional Name: 4-hydroxy-5-isopropyl-2-methyl-besylic acid; 2-[(E)-3-(methylthio)propylideneamino]guanidine Formula: C15H26N4O4S2 MolecularWeight: 390.52134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.CSCCC=NN=C(N)N

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.CSCC/C=N/N=C(N)N

InChI

InChI=1S/C10H14O4S.C5H12N4S/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-10-4-2-3-8-9-5(6)7/h4-6,11H,1-3H3,(H,12,13,14);3H,2,4H2,1H3,(H4,6,7,9)/b;8-3+