1-(1-ethyl-2-phenyl-indol-3-yl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-ethyl-2-phenyl-indol-3-yl)ethanone CAS Name: 1-(1-ethyl-2-phenyl-3-indolyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-ethyl-2-phenylindol-3-yl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(1-ethyl-2-phenyl-indol-3-yl)ethanone Formula: C28H26N4OS2 MolecularWeight: 498.66224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NN=C(N4CC=C)CC5=CC=CS5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NN=C(N4CC=C)CC5=CC=CS5

InChI

InChI=1S/C28H26N4OS2/c1-3-16-32-25(18-21-13-10-17-34-21)29-30-28(32)35-19-24(33)26-22-14-8-9-15-23(22)31(4-2)27(26)20-11-6-5-7-12-20/h3,5-15,17H,1,4,16,18-19H2,2H3