2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(CCC2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C22H23N5O2S/c1-29-18-6-7-19-16(13-18)3-2-12-26(19)20(28)14-30-22-25-24-21(27(22)17-4-5-17)15-8-10-23-11-9-15/h6-11,13,17H,2-5,12,14H2,1H3