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

Systemtic Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-methyl-2-furyl)-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-[[5-(3-methyl-2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-ethyl-2-phenylindol-3-yl)-2-[[5-(3-methylfuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-methyl-2-furyl)-1,2,4-triazol-3-yl]thio]-1-(1-ethyl-2-phenyl-indol-3-yl)ethanone Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NN=C(N4CC=C)C5=C(C=CO5)C

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CSC4=NN=C(N4CC=C)C5=C(C=CO5)C

InChI

InChI=1S/C28H26N4O2S/c1-4-16-32-27(26-19(3)15-17-34-26)29-30-28(32)35-18-23(33)24-21-13-9-10-14-22(21)31(5-2)25(24)20-11-7-6-8-12-20/h4,6-15,17H,1,5,16,18H2,2-3H3