4-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 4-[[(5E)-5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-morpholino-butan-1-one Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=NN/C(=C/3\C=C4C=CC=CC4=N3)/N2C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2S/c30-22(28-12-14-31-15-13-28)11-6-16-32-24-27-26-23(29(24)19-8-2-1-3-9-19)21-17-18-7-4-5-10-20(18)25-21/h1-5,7-10,17,26H,6,11-16H2/b23-21-