3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C18H20FN5O2S MolecularWeight: 389.447103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=C(N2N)C3CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=C(N2N)C3CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H20FN5O2S/c19-13-8-6-12(7-9-13)16(25)23-10-2-1-3-14(17(23)26)27-18-22-21-15(24(18)20)11-4-5-11/h6-9,11,14H,1-5,10,20H2