3-chloranyl-5-[4-(pyridin-2-ylsulfanylmethyl)phenyl]-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-chloranyl-5-[4-(pyridin-2-ylsulfanylmethyl)phenyl]-1,2-thiazole-4-carbonitrile Openeye Name: 3-chloro-5-[4-(2-pyridylsulfanylmethyl)phenyl]isothiazole-4-carbonitrile CAS Name: 3-chloro-5-[4-[(2-pyridinylthio)methyl]phenyl]-4-isothiazolecarbonitrile IUPAC Name: 3-chloro-5-[4-(pyridin-2-ylsulfanylmethyl)phenyl]-1,2-thiazole-4-carbonitrile Traditional Name: 3-chloro-5-[4-[(2-pyridylthio)methyl]phenyl]isothiazole-4-carbonitrile Formula: C16H10ClN3S2 MolecularWeight: 343.8537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC=C(C=C2)C3=C(C(=NS3)Cl)C#N

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC=C(C=C2)C3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C16H10ClN3S2/c17-16-13(9-18)15(22-20-16)12-6-4-11(5-7-12)10-21-14-3-1-2-8-19-14/h1-8H,10H2