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

Systemtic Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4O2S/c1-3-4-13-24-19(16-9-11-21-12-10-16)22-23-20(24)27-14-18(25)15-5-7-17(26-2)8-6-15/h5-12H,3-4,13-14H2,1-2H3