3-naphthalen-2-ylcarbonyl-5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile

Systemtic Name: 3-naphthalen-2-ylcarbonyl-5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Openeye Name: 3-(naphthalene-2-carbonyl)-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile CAS Name: 3-[2-naphthalenyl(oxo)methyl]-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile IUPAC Name: 3-(naphthalene-2-carbonyl)-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Traditional Name: 5-keto-3-(2-naphthoyl)-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile Formula: C29H17N5O2 MolecularWeight: 467.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N3C(=NN(C3=N2)C4=CC=CC=C4)C(=O)C5=CC6=CC=CC=C6C=C5)C#N

InChI

InChI=1S/C29H17N5O2/c30-18-24-25(20-10-3-1-4-11-20)31-29-33(28(24)36)27(32-34(29)23-13-5-2-6-14-23)26(35)22-16-15-19-9-7-8-12-21(19)17-22/h1-17H