4-methylbenzenesulfonic acid; [1-(thiophen-2-ylmethyl)imidazol-2-yl]methanamine

Systemtic Name: 4-methylbenzenesulfonic acid; [1-(thiophen-2-ylmethyl)imidazol-2-yl]methanamine Openeye Name: 4-methylbenzenesulfonic acid; [1-(2-thienylmethyl)imidazol-2-yl]methanamine CAS Name: 4-methylbenzenesulfonic acid; [1-(thiophen-2-ylmethyl)-2-imidazolyl]methanamine IUPAC Name: 4-methylbenzenesulfonic acid; [1-(thiophen-2-ylmethyl)imidazol-2-yl]methanamine Traditional Name: [1-(2-thenyl)imidazol-2-yl]methylamine; tosylic acid Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CSC(=C1)CN2C=CN=C2CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CSC(=C1)CN2C=CN=C2CN

InChI

InChI=1S/C9H11N3S.C7H8O3S/c10-6-9-11-3-4-12(9)7-8-2-1-5-13-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)