5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-phenyl-3-propylsulfanyl-isothiazole-4-carbonitrile CAS Name: 5-phenyl-3-(propylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-phenyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-phenyl-3-(propylthio)isothiazole-4-carbonitrile Formula: C13H12N2S2 MolecularWeight: 260.37778

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC(=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=NSC(=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2S2/c1-2-8-16-13-11(9-14)12(17-15-13)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3