2-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-oxobutanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4-[(4-methyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C14H11N5OS2 MolecularWeight: 329.40004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CN1C=NN=C1SCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11N5OS2/c1-19-8-16-18-14(19)21-7-11(20)9(6-15)13-17-10-4-2-3-5-12(10)22-13/h2-5,8-9H,7H2,1H3