azepine-2-thione; 4-methylbenzenesulfonic acid

Systemtic Name: azepine-2-thione; 4-methylbenzenesulfonic acid Openeye Name: azepine-2-thione; 4-methylbenzenesulfonic acid CAS Name: 2-azepinethione; 4-methylbenzenesulfonic acid IUPAC Name: azepine-2-thione; 4-methylbenzenesulfonic acid Traditional Name: azepine-2-thione; tosylic acid Formula: C25H23N3O3S4 MolecularWeight: 541.72842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.3C6H5NS/c1-6-2-4-7(5-3-6)11(8,9)10;3*8-6-4-2-1-3-5-7-6/h2-5H,1H3,(H,8,9,10);3*1-5H