2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-propylphenyl)ethanone Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-2-9-19-14-16-20(17-15-19)23(29)18-30-25-27-26-24(21-10-5-3-6-11-21)28(25)22-12-7-4-8-13-22/h3-8,10-17H,2,9,18H2,1H3