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

Systemtic Name: 2-(diethylaminomethyl)-8-methyl-7-oxidanylidene-5-phenyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 2-(diethylaminomethyl)-8-methyl-7-oxo-5-phenyl-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 2-(diethylaminomethyl)-8-methyl-7-oxo-5-phenyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 2-(diethylaminomethyl)-8-methyl-7-oxo-5-phenyl-3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 2-(diethylaminomethyl)-7-keto-8-methyl-5-phenyl-3-thioxo-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CN1C(=S)N2C(=C(C(=O)N(C2=N1)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CN1C(=S)N2C(=C(C(=O)N(C2=N1)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H20N6OS/c1-4-22(5-2)12-23-18(26)24-15(13-9-7-6-8-10-13)14(11-19)16(25)21(3)17(24)20-23/h6-10H,4-5,12H2,1-3H3