1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-3-15-10-11-16(4-2)18(12-15)19(24)13-25-20-22-21-14-23(20)17-8-6-5-7-9-17/h5-12,14H,3-4,13H2,1-2H3