3-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)isothiazole-4-carbonitrile CAS Name: 3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)isothiazole-4-carbonitrile Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C13H10ClN3O2S/c14-12-9(6-15)13(20-17-12)16-7-8-1-2-10-11(5-8)19-4-3-18-10/h1-2,5,16H,3-4,7H2