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

Systemtic Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluoranyl-phenyl]methanamine Openeye Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluoro-phenyl]methanamine CAS Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-fluorophenyl]methanamine IUPAC Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-fluorophenyl]methanamine Traditional Name: [4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-fluoro-benzyl]amine Formula: C15H17FN4S MolecularWeight: 304.385683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)CN)F

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)CN)F

InChI

InChI=1S/C15H17FN4S/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,2-5,8,17H2