3-chloranyl-5-[(3,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[(3,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[(3,4-dimethoxyphenyl)methylamino]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[(3,4-dimethoxyphenyl)methylamino]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[(3,4-dimethoxyphenyl)methylamino]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-(veratrylamino)isothiazole-4-carbonitrile Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NS2)Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NS2)Cl)C#N)OC

InChI

InChI=1S/C13H12ClN3O2S/c1-18-10-4-3-8(5-11(10)19-2)7-16-13-9(6-15)12(14)17-20-13/h3-5,16H,7H2,1-2H3