1-(azepan-1-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C19H24N4OS/c24-17(22-12-6-1-2-7-13-22)14-25-19-21-20-18(15-10-11-15)23(19)16-8-4-3-5-9-16/h3-5,8-9,15H,1-2,6-7,10-14H2