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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[5-(2-chlorophenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H25ClN4O2S/c1-2-34-21-15-13-20(14-16-21)32-26(22-10-4-5-11-23(22)28)29-30-27(32)35-18-25(33)31-17-7-9-19-8-3-6-12-24(19)31/h3-6,8,10-16H,2,7,9,17-18H2,1H3