1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C24H23N3OS2 MolecularWeight: 433.58892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H23N3OS2/c1-3-18-11-13-20(14-12-18)22(28)17(2)30-24-26-25-23(21-10-7-15-29-21)27(24)16-19-8-5-4-6-9-19/h4-15,17H,3,16H2,1-2H3