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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-15(2)13-23-19(17-11-7-4-8-12-17)21-22-20(23)25-14-18(24)16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3