4-[(3-cyanophenyl)methyl]-3,5-bis(oxidanylidene)-2-phenyl-1,2,4-triazinane-6-carbonitrile

Systemtic Name: 4-[(3-cyanophenyl)methyl]-3,5-bis(oxidanylidene)-2-phenyl-1,2,4-triazinane-6-carbonitrile Openeye Name: 4-[(3-cyanophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazinane-6-carbonitrile CAS Name: 4-[(3-cyanophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazinane-6-carbonitrile IUPAC Name: 4-[(3-cyanophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazinane-6-carbonitrile Traditional Name: 4-(3-cyanobenzyl)-3,5-diketo-2-phenyl-1,2,4-triazinane-6-carbonitrile Formula: C18H13N5O2 MolecularWeight: 331.32812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(C(=O)C(N2)C#N)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(C(=O)C(N2)C#N)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13N5O2/c19-10-13-5-4-6-14(9-13)12-22-17(24)16(11-20)21-23(18(22)25)15-7-2-1-3-8-15/h1-9,16,21H,12H2