2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)propionamide Formula: C22H23N7O2S MolecularWeight: 449.52872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CC5CCCO5

InChI

InChI=1S/C22H23N7O2S/c1-14(20(30)26-21-23-9-5-10-24-21)32-22-28-27-19(29(22)13-15-6-4-11-31-15)17-12-25-18-8-3-2-7-16(17)18/h2-3,5,7-10,12,14-15,27H,4,6,11,13H2,1H3,(H,23,24,26,30)/b19-17-