(2S)-2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,2,3]triazin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]triazin-3-yl)-N-mesityl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)N2C(=O)C3=C(N=N2)SC4=C3CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)N2C(=O)C3=C(N=N2)SC4=C3CCCC4)C

InChI

InChI=1S/C21H24N4O2S/c1-11-9-12(2)18(13(3)10-11)22-19(26)14(4)25-21(27)17-15-7-5-6-8-16(15)28-20(17)23-24-25/h9-10,14H,5-8H2,1-4H3,(H,22,26)/t14-/m0/s1