2-(3H-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)amino]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)amino]-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(N-methylanilino)-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(N-methylanilino)-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(N-methylanilino)-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(N-methylanilino)butyronitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)C(=C1NC2=CC=CC=C2S1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3OS/c1-21(13-7-3-2-4-8-13)12-16(22)14(11-19)18-20-15-9-5-6-10-17(15)23-18/h2-10,20H,12H2,1H3