(9aS)-9a-butyl-6-thiophen-2-yl-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one

Systemtic Name: (9aS)-9a-butyl-6-thiophen-2-yl-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one Openeye Name: (9aS)-9a-butyl-6-(2-thienyl)-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one CAS Name: (9aS)-9a-butyl-6-thiophen-2-yl-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one IUPAC Name: (9aS)-9a-butyl-6-thiophen-2-yl-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one Traditional Name: (9aS)-9a-butyl-6-(2-thienyl)-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(=O)C(=C1C3=C(C2)C4=NNN=C4C=C3)C5=CC=CS5

Isomeric SMILES

CCCC[C@@]12CCC(=O)C(=C1C3=C(C2)C4=NNN=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C21H21N3OS/c1-2-3-9-21-10-8-16(25)18(17-5-4-11-26-17)19(21)13-6-7-15-20(14(13)12-21)23-24-22-15/h4-7,11H,2-3,8-10,12H2,1H3,(H,22,23,24)/t21-/m0/s1