6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CC5CCCO5

InChI

InChI=1S/C22H24N6O3S/c1-26-14(10-19(29)27(2)22(26)30)13-32-21-25-24-20(28(21)12-15-6-5-9-31-15)17-11-23-18-8-4-3-7-16(17)18/h3-4,7-8,10-11,15,24H,5-6,9,12-13H2,1-2H3/b20-17-