2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-4-ylidene]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-4-ylidene]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-4-pyridylidene]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(2-oxolanylmethyl)-4-pyridinylidene]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-4-ylidene]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2,6-dimethyl-1-(tetrahydrofurfuryl)-4-pyridylidene]acetonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4CCCO4)C

Isomeric SMILES

CC1=CC(=C(C#N)C2=NC3=CC=CC=C3S2)C=C(N1CC4CCCO4)C

InChI

InChI=1S/C21H21N3OS/c1-14-10-16(11-15(2)24(14)13-17-6-5-9-25-17)18(12-22)21-23-19-7-3-4-8-20(19)26-21/h3-4,7-8,10-11,17H,5-6,9,13H2,1-2H3