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

Systemtic Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholino-butan-1-one CAS Name: 4-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-morpholino-butan-1-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC(=O)N5CCOCC5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC(=O)N5CCOCC5

InChI

InChI=1S/C21H25N5O2S/c27-19(25-9-11-28-12-10-25)6-3-13-29-21-24-23-20(26(21)15-7-8-15)17-14-22-18-5-2-1-4-16(17)18/h1-2,4-5,14-15,23H,3,6-13H2