4-methylbenzenesulfonic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Openeye Name: 1-(2-isopropylthiazol-4-yl)-N-methyl-methanamine; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Traditional Name: (2-isopropylthiazol-4-yl)methyl-methyl-amine; tosylic acid Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=NC(=CS1)CNC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=NC(=CS1)CNC

InChI

InChI=1S/C8H14N2S.C7H8O3S/c1-6(2)8-10-7(4-9-3)5-11-8;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)