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

Systemtic Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Openeye Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-propylphenyl)ethanone CAS Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propylphenyl)ethanone Traditional Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-propylphenyl)ethanone Formula: C23H21N3OS2 MolecularWeight: 419.56234

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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=CS4

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H21N3OS2/c1-2-7-17-11-13-18(14-12-17)20(27)16-29-23-25-24-22(21-10-6-15-28-21)26(23)19-8-4-3-5-9-19/h3-6,8-15H,2,7,16H2,1H3