4-methylbenzenesulfonic acid; 1-oxidanylidene-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanylidene-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine Openeye Name: 4-methylbenzenesulfonic acid; 1-oxo-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine CAS Name: 4-methylbenzenesulfonic acid; 1-oxo-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine IUPAC Name: 4-methylbenzenesulfonic acid; 1-oxo-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine Traditional Name: 1-keto-2-[[(E)-1H-quinolin-2-ylidenemethyl]amino]guanidine; tosylic acid Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC(=CNN=C(N)N=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=C/C(=C\N/N=C(\N)/N=O)/N2

InChI

InChI=1S/C11H11N5O.C7H8O3S/c12-11(16-17)15-13-7-9-6-5-8-3-1-2-4-10(8)14-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,13-14H,(H2,12,15);2-5H,1H3,(H,8,9,10)/b9-7+;