8-methyl-7-oxidanylidene-5-phenyl-2-(piperidin-1-ylmethyl)-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 8-methyl-7-oxidanylidene-5-phenyl-2-(piperidin-1-ylmethyl)-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 8-methyl-7-oxo-5-phenyl-2-(1-piperidylmethyl)-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 8-methyl-7-oxo-5-phenyl-2-(1-piperidinylmethyl)-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 8-methyl-7-oxo-5-phenyl-2-(piperidin-1-ylmethyl)-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 7-keto-8-methyl-5-phenyl-2-(piperidinomethyl)-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N2C1=NN(C2=S)CN3CCCCC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=O)C(=C(N2C1=NN(C2=S)CN3CCCCC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C19H20N6OS/c1-22-17(26)15(12-20)16(14-8-4-2-5-9-14)25-18(22)21-24(19(25)27)13-23-10-6-3-7-11-23/h2,4-5,8-9H,3,6-7,10-11,13H2,1H3