1-[5-butanoyl-3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one

Systemtic Name: 1-[5-butanoyl-3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one Openeye Name: 1-(5-butanoyl-3-phenyl-6-tetralin-6-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)butan-1-one CAS Name: 1-[5-(1-oxobutyl)-3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-1-butanone IUPAC Name: 1-[5-butanoyl-3-phenyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one Traditional Name: 1-(5-butyryl-3-phenyl-6-tetralin-6-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)butan-1-one Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N(N2C(=NN=C2S1)C3=CC=CC=C3)C(=O)CCC)C4=CC5=C(CCCC5)C=C4

Isomeric SMILES

CCCC(=O)C1=C(N(N2C(=NN=C2S1)C3=CC=CC=C3)C(=O)CCC)C4=CC5=C(CCCC5)C=C4

InChI

InChI=1S/C28H30N4O2S/c1-3-10-23(33)26-25(22-17-16-19-12-8-9-15-21(19)18-22)31(24(34)11-4-2)32-27(29-30-28(32)35-26)20-13-6-5-7-14-20/h5-7,13-14,16-18H,3-4,8-12,15H2,1-2H3