3-ethanoyl-5-oxidanylidene-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 3-ethanoyl-5-oxidanylidene-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 3-acetyl-5-oxo-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 3-acetyl-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 3-acetyl-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 3-acetyl-5-keto-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C18H11N5O2S MolecularWeight: 361.37724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H11N5O2S/c1-11(24)16-21-23(12-6-3-2-4-7-12)18-20-15(14-8-5-9-26-14)13(10-19)17(25)22(16)18/h2-9H,1H3