1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 3-methylpyridine

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; 3-methylpyridine Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one; 3-methylpyridine CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; 3-methylpyridine IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; 3-methylpyridine Traditional Name: $b-picoline; 1,1-diketo-1,2-benzothiazol-3-one Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC=C1.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CC1=CN=CC=C1.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C7H5NO3S.C6H7N/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-6-3-2-4-7-5-6/h1-4H,(H,8,9);2-5H,1H3