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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(m-tolyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(3-methylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(3-methylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(m-tolyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-19-9-8-14-22(17-19)28-24(16-15-20-10-4-2-5-11-20)26-27-25(28)30-18-23(29)21-12-6-3-7-13-21/h2-14,17H,15-16,18H2,1H3