4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-(2-thienyl)thiazol-4-yl]methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(2-thiophen-2-yl-4-thiazolyl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-(2-thienyl)thiazol-4-yl]methylthio]methyl]benzonitrile Formula: C16H12N2S3 MolecularWeight: 328.47488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=CS2)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CSC(=C1)C2=NC(=CS2)CSCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N2S3/c17-8-12-3-5-13(6-4-12)9-19-10-14-11-21-16(18-14)15-2-1-7-20-15/h1-7,11H,9-10H2