4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluoro-benzonitrile CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-fluorobenzonitrile IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorobenzonitrile Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-fluoro-benzonitrile Formula: C15H13FN4S MolecularWeight: 300.353923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C15H13FN4S/c16-12-7-9(8-17)1-6-13(12)21-15-19-18-14(10-2-3-10)20(15)11-4-5-11/h1,6-7,10-11H,2-5H2