2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]-1-(p-tolyl)ethanone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3OS/c1-4-6-15-17-18-16(19(15)5-2)21-11-14(20)13-9-7-12(3)8-10-13/h7-10H,4-6,11H2,1-3H3