3,5-bis(oxidanylidene)-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile

Systemtic Name: 3,5-bis(oxidanylidene)-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile Openeye Name: 3,5-dioxo-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile CAS Name: 3,5-dioxo-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile IUPAC Name: 3,5-dioxo-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile Traditional Name: 3,5-diketo-2-(4-propylsulfonylphenyl)-1,2,4-triazine-6-carbonitrile Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)NC(=O)C(=N2)C#N

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)N2C(=O)NC(=O)C(=N2)C#N

InChI

InChI=1S/C13H12N4O4S/c1-2-7-22(20,21)10-5-3-9(4-6-10)17-13(19)15-12(18)11(8-14)16-17/h3-6H,2,7H2,1H3,(H,15,18,19)