4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[1,3-benzothiazol-2-yl(1H-imidazol-2-ylmethyl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=NC5=CC=CC=C5S4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=NC=CN3)C4=NC5=CC=CC=C5S4)O)C

InChI

InChI=1S/C23H21N5O2S/c1-23(2)21(29)20(15-11-14(12-24)7-8-17(15)30-23)28(13-19-25-9-10-26-19)22-27-16-5-3-4-6-18(16)31-22/h3-11,20-21,29H,13H2,1-2H3,(H,25,26)