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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-methoxyphenyl)propionitrile Formula: C17H12N2O2S MolecularWeight: 308.35438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O2S/c1-21-12-8-6-11(7-9-12)16(20)13(10-18)17-19-14-4-2-3-5-15(14)22-17/h2-9,13H,1H3