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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H22N4OS/c27-20(25-14-6-8-16-7-4-5-11-19(16)25)15-28-22-24-23-21(17-12-13-17)26(22)18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2