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

Systemtic Name: 1-(4-ethylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)CC)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)CC)C4=CC=NC=C4

InChI

InChI=1S/C26H26N4OS/c1-4-19-6-10-21(11-7-19)24(31)18(3)32-26-29-28-25(22-14-16-27-17-15-22)30(26)23-12-8-20(5-2)9-13-23/h6-18H,4-5H2,1-3H3