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

Systemtic Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H19N3O2S/c1-3-4-5-14-16-15(18-17-14)21-10-13(19)11-6-8-12(20-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,16,17,18)