2-[4-(1-cyano-1-phenyl-ethyl)phenyl]-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carbonitrile

Systemtic Name: 2-[4-(1-cyano-1-phenyl-ethyl)phenyl]-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carbonitrile Openeye Name: 2-[4-(1-cyano-1-phenyl-ethyl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile CAS Name: 2-[4-(1-cyano-1-phenylethyl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile IUPAC Name: 2-[4-(1-cyano-1-phenylethyl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile Traditional Name: 2-[4-(1-cyano-1-phenyl-ethyl)phenyl]-3,5-diketo-1,2,4-triazine-6-carbonitrile Formula: C19H13N5O2 MolecularWeight: 343.33882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=C1)C2=CC=C(C=C2)N3C(=O)NC(=O)C(=N3)C#N

Isomeric SMILES

CC(C#N)(C1=CC=CC=C1)C2=CC=C(C=C2)N3C(=O)NC(=O)C(=N3)C#N

InChI

InChI=1S/C19H13N5O2/c1-19(12-21,13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-18(26)22-17(25)16(11-20)23-24/h2-10H,1H3,(H,22,25,26)