3-butylsulfanyl-5-phenacylsulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-butylsulfanyl-5-phenacylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-butylsulfanyl-5-phenacylsulfanyl-isothiazole-4-carbonitrile CAS Name: 3-(butylthio)-5-(phenacylthio)-4-isothiazolecarbonitrile IUPAC Name: 3-butylsulfanyl-5-phenacylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-(butylthio)-5-(phenacylthio)isothiazole-4-carbonitrile Formula: C16H16N2OS3 MolecularWeight: 348.50604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSC(=C1C#N)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NSC(=C1C#N)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2OS3/c1-2-3-9-20-15-13(10-17)16(22-18-15)21-11-14(19)12-7-5-4-6-8-12/h4-8H,2-3,9,11H2,1H3