5-(cyanomethylsulfanyl)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-(cyanomethylsulfanyl)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(cyanomethylsulfanyl)isothiazole-4-carbonitrile CAS Name: 5-(cyanomethylthio)-3-(phenylmethylthio)-4-isothiazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(cyanomethylthio)isothiazole-4-carbonitrile Formula: C13H9N3S3 MolecularWeight: 303.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)SCC#N

InChI

InChI=1S/C13H9N3S3/c14-6-7-17-13-11(8-15)12(16-19-13)18-9-10-4-2-1-3-5-10/h1-5H,7,9H2