(2S)-3-(1,3-benzothiazol-6-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-(1,3-benzothiazol-6-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-(1,3-benzothiazol-6-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-(1,3-benzothiazol-6-yl)-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-(1,3-benzothiazol-6-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-(1,3-benzothiazol-6-yl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C18H12N4OS MolecularWeight: 332.37908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H12N4OS/c1-22-15-5-3-2-4-13(15)21-18(22)12(9-19)17(23)11-6-7-14-16(8-11)24-10-20-14/h2-8,10,12H,1H3/t12-/m1/s1