2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-(4-fluorophenyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-4-(4-fluorophenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylsulfanyl]-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylsulfonyl)ethylthio]-4-(4-fluorophenyl)-6-(2-thienyl)nicotinonitrile Formula: C25H16FN3O2S4 MolecularWeight: 537.671843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)CCSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C25H16FN3O2S4/c26-17-9-7-16(8-10-17)18-14-21(22-6-3-11-32-22)28-24(19(18)15-27)33-12-13-35(30,31)25-29-20-4-1-2-5-23(20)34-25/h1-11,14H,12-13H2