[4-(phenylmethyl)-6-thiocyanato-1,2,4-triazin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(phenylmethyl)-6-thiocyanato-1,2,4-triazin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: (4-benzyl-6-thiocyanato-1,2,4-triazin-1-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(phenylmethyl)-6-thiocyanato-1,2,4-triazin-1-yl]methyl ester IUPAC Name: (4-benzyl-6-thiocyanato-1,2,4-triazin-1-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-benzyl-6-thiocyanato-1,2,4-triazin-1-yl)methyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=CN(C=N1)CC2=CC=CC=C2)SC#N

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=CN(C=N1)CC2=CC=CC=C2)SC#N

InChI

InChI=1S/C17H20N4O2S/c1-17(2,3)16(22)23-13-21-15(24-11-18)10-20(12-19-21)9-14-7-5-4-6-8-14/h4-8,10,12H,9,13H2,1-3H3