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

Systemtic Name: 4-azanyl-2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl]thio]pyrimidine-5-carbonitrile Formula: C17H12N6OS2 MolecularWeight: 380.44678

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H12N6OS2/c1-23-12-4-2-3-5-14(12)26-16(23)11(7-19)13(24)9-25-17-21-8-10(6-18)15(20)22-17/h2-5,8H,9H2,1H3,(H2,20,21,22)/b16-11+