5-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C20H16ClFN4O2S MolecularWeight: 430.883043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)C#N

InChI

InChI=1S/C20H16ClFN4O2S/c21-16-13-4-3-12(22)9-15(13)29-17(16)19(27)25-5-7-26(8-6-25)20-14(10-23)24-18(28-20)11-1-2-11/h3-4,9,11H,1-2,5-8H2