2-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-thioxo-imidazolidin-1-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-sulfanylidene-1-imidazolidinyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-sulfanylideneimidazolidin-1-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-keto-2-thioxo-imidazolidin-1-yl)acrylonitrile Formula: C13H8N4OS2 MolecularWeight: 300.35882

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=S)N1C=C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C(=O)NC(=S)N1C=C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H8N4OS2/c14-5-8(6-17-7-11(18)16-13(17)19)12-15-9-3-1-2-4-10(9)20-12/h1-4,6H,7H2,(H,16,18,19)