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

Systemtic Name: 4-[1,3-benzothiazol-2-yl(pyridin-3-ylmethyl)amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[1,3-benzothiazol-2-yl(3-pyridylmethyl)amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[1,3-benzothiazol-2-yl(3-pyridinylmethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[1,3-benzothiazol-2-yl(pyridin-3-ylmethyl)amino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[1,3-benzothiazol-2-yl(3-pyridylmethyl)amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=NC5=CC=CC=C5S4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=NC5=CC=CC=C5S4)O)C

InChI

InChI=1S/C25H22N4O2S/c1-25(2)23(30)22(18-12-16(13-26)9-10-20(18)31-25)29(15-17-6-5-11-27-14-17)24-28-19-7-3-4-8-21(19)32-24/h3-12,14,22-23,30H,15H2,1-2H3