2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(3,4-dimethylphenyl)-3-keto-propionitrile Formula: C18H14N2OS MolecularWeight: 306.38156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H14N2OS/c1-11-7-8-13(9-12(11)2)17(21)14(10-19)18-20-15-5-3-4-6-16(15)22-18/h3-9,14H,1-2H3