3-azanyl-4-oxidanylidene-azetidine-2-carbonitrile; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-azetidine-2-carbonitrile; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-4-oxo-azetidine-2-carbonitrile; 4-methylbenzenesulfonic acid CAS Name: 3-amino-4-oxo-2-azetidinecarbonitrile; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-oxoazetidine-2-carbonitrile; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-4-keto-azetidine-2-carbonitrile; tosylic acid Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(#N)C1C(C(=O)N1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(#N)C1C(C(=O)N1)N

InChI

InChI=1S/C7H8O3S.C4H5N3O/c1-6-2-4-7(5-3-6)11(8,9)10;5-1-2-3(6)4(8)7-2/h2-5H,1H3,(H,8,9,10);2-3H,6H2,(H,7,8)