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

Systemtic Name: 3-oxidanylidene-5-(phenylmethylsulfanyl)-1,2-thiazole-4-carbonitrile Openeye Name: 5-benzylsulfanyl-3-oxo-isothiazole-4-carbonitrile CAS Name: 3-oxo-5-(phenylmethylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-benzylsulfanyl-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-(benzylthio)-3-keto-4-isothiazoline-4-carbonitrile Formula: C11H8N2OS2 MolecularWeight: 248.32402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)NS2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C11H8N2OS2/c12-6-9-10(14)13-16-11(9)15-7-8-4-2-1-3-5-8/h1-5H,7H2,(H,13,14)