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

Systemtic Name: 4-[1H-imidazol-2-ylmethyl-(4-methyl-1,3-thiazol-2-yl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-[1H-imidazol-2-ylmethyl-(4-methylthiazol-2-yl)amino]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[1H-imidazol-2-ylmethyl-(4-methyl-2-thiazolyl)amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-[1H-imidazol-2-ylmethyl-(4-methyl-1,3-thiazol-2-yl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[1H-imidazol-2-ylmethyl-(4-methylthiazol-2-yl)amino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N(CC2=NC=CN2)C3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O

Isomeric SMILES

CC1=CSC(=N1)N(CC2=NC=CN2)C3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O

InChI

InChI=1S/C20H21N5O2S/c1-12-11-28-19(24-12)25(10-16-22-6-7-23-16)17-14-8-13(9-21)4-5-15(14)27-20(2,3)18(17)26/h4-8,11,17-18,26H,10H2,1-3H3,(H,22,23)