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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-oxo-2-sulfanylidenepyrimidin-1-yl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-keto-2-thioxo-pyrimidin-1-yl)acrylonitrile Formula: C14H8N4OS2 MolecularWeight: 312.36952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CN3C=CC(=O)NC3=S)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=CN3C=CC(=O)NC3=S)C#N

InChI

InChI=1S/C14H8N4OS2/c15-7-9(8-18-6-5-12(19)17-14(18)20)13-16-10-3-1-2-4-11(10)21-13/h1-6,8H,(H,17,19,20)