2-ethyl-8,9-dimethoxy-5-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-c]quinazoline

Systemtic Name: 2-ethyl-8,9-dimethoxy-5-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-c]quinazoline Openeye Name: 5-[(E)-cinnamyl]sulfanyl-2-ethyl-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazoline CAS Name: 2-ethyl-8,9-dimethoxy-5-[[(E)-3-phenylprop-2-enyl]thio]-[1,2,4]triazolo[1,5-c]quinazoline IUPAC Name: 2-ethyl-8,9-dimethoxy-5-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-c]quinazoline Traditional Name: 5-[[(E)-cinnamyl]thio]-2-ethyl-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazoline Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=N1)C3=CC(=C(C=C3N=C2SCC=CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=NN2C(=N1)C3=CC(=C(C=C3N=C2SC/C=C/C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C22H22N4O2S/c1-4-20-24-21-16-13-18(27-2)19(28-3)14-17(16)23-22(26(21)25-20)29-12-8-11-15-9-6-5-7-10-15/h5-11,13-14H,4,12H2,1-3H3/b11-8+