N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[(5-oxidanylidene-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C25H26N6O5S2 MolecularWeight: 554.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H26N6O5S2/c1-3-10-30-23(33)19-6-4-5-7-20(19)31-24(30)27-28-25(31)37-16-22(32)26-18-9-8-17(2)21(15-18)38(34,35)29-11-13-36-14-12-29/h3-9,15H,1,10-14,16H2,2H3,(H,26,32)