1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)C3=CNC4=CC=CC=C43)CC5=CC=CS5

InChI

InChI=1S/C25H22N4OS2/c30-23(21-16-26-22-11-5-4-10-20(21)22)17-32-25-28-27-24(15-19-9-6-14-31-19)29(25)13-12-18-7-2-1-3-8-18/h1-11,14,16,26H,12-13,15,17H2