2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylthio)-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylsulfanyl)-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-benzoxazol-2-ylthio)-3-keto-butyronitrile Formula: C18H11N3O2S2 MolecularWeight: 365.42884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H11N3O2S2/c19-9-11(17-20-13-6-2-4-8-16(13)25-17)14(22)10-24-18-21-12-5-1-3-7-15(12)23-18/h1-8,11H,10H2