4-azanyl-2-[(3E)-3-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(3E)-3-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(3E)-3-(5-chloro-3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]pyrimidine-5-carbonitrile Formula: C16H9ClN6OS2 MolecularWeight: 400.86526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=C(C#N)C(=O)CSC3=NC=C(C(=N3)N)C#N)S2

Isomeric SMILES

C1=CC2=C(C=C1Cl)N/C(=C(/C#N)\C(=O)CSC3=NC=C(C(=N3)N)C#N)/S2

InChI

InChI=1S/C16H9ClN6OS2/c17-9-1-2-13-11(3-9)22-15(26-13)10(5-19)12(24)7-25-16-21-6-8(4-18)14(20)23-16/h1-3,6,22H,7H2,(H2,20,21,23)/b15-10+