N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)ethanamide hydrate

Systemtic Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)ethanamide hydrate Openeye Name: N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acetamide hydrate CAS Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)acetamide hydrate IUPAC Name: N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)acetamide hydrate Traditional Name: N-(2-thioxo-3H-1,3-benzothiazol-6-yl)acetamide hydrate Formula: C9H10N2O2S2 MolecularWeight: 242.3179

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)NC(=S)S2.O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)NC(=S)S2.O

InChI

InChI=1S/C9H8N2OS2.H2O/c1-5(12)10-6-2-3-7-8(4-6)14-9(13)11-7;/h2-4H,1H3,(H,10,12)(H,11,13);1H2