2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-(2-methylpropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-isobutyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CN=CC=C4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-16(2)14-27-22(20-8-5-11-24-13-20)25-26-23(27)29-15-21(28)19-10-9-17-6-3-4-7-18(17)12-19/h3-13,16H,14-15H2,1-2H3