2-(4-fluorophenyl)sulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4OS/c22-16-8-10-18(11-9-16)28-14-20(27)23-17-6-4-5-15(13-17)21-25-24-19-7-2-1-3-12-26(19)21/h4-6,8-11,13H,1-3,7,12,14H2,(H,23,27)