benzotriazole-1-carboximidamide; 4-methylbenzenesulfonic acid

Systemtic Name: benzotriazole-1-carboximidamide; 4-methylbenzenesulfonic acid Openeye Name: benzotriazole-1-carboxamidine; 4-methylbenzenesulfonic acid CAS Name: 1-benzotriazolecarboximidamide; 4-methylbenzenesulfonic acid IUPAC Name: benzotriazole-1-carboximidamide; 4-methylbenzenesulfonic acid Traditional Name: benzotriazole-1-carboxamidine; tosylic acid Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=NN2C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=NN2C(=N)N

InChI

InChI=1S/C7H7N5.C7H8O3S/c8-7(9)12-6-4-2-1-3-5(6)10-11-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,(H3,8,9);2-5H,1H3,(H,8,9,10)