2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CC5CCCO5

InChI

InChI=1S/C22H27N5O2S/c1-15(21(28)26-10-4-5-11-26)30-22-25-24-20(27(22)14-16-7-6-12-29-16)18-13-23-19-9-3-2-8-17(18)19/h2-3,8-9,13,15-16,24H,4-7,10-12,14H2,1H3/b20-18-