N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide Openeye Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide CAS Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide IUPAC Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide Traditional Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=NC5=C(S4)CCCC5)C

Isomeric SMILES

CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=NC5=C(S4)CCCC5)C

InChI

InChI=1S/C22H23N5OS2/c1-12-8-9-13(2)19-15(12)10-14(3)20-25-26-22(27(19)20)29-11-18(28)24-21-23-16-6-4-5-7-17(16)30-21/h8-10H,4-7,11H2,1-3H3,(H,23,24,28)