2-[(4-ethylsulfonylphenyl)amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-ethylsulfonylphenyl)amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile Openeye Name: 2-(4-ethylsulfonylanilino)-4-prop-2-ynoxy-pyrimidine-5-carbonitrile CAS Name: 2-(4-ethylsulfonylanilino)-4-prop-2-ynoxy-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-ethylsulfonylanilino)-4-prop-2-ynoxypyrimidine-5-carbonitrile Traditional Name: 2-(4-esylanilino)-4-propargyloxy-pyrimidine-5-carbonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

InChI

InChI=1S/C16H14N4O3S/c1-3-9-23-15-12(10-17)11-18-16(20-15)19-13-5-7-14(8-6-13)24(21,22)4-2/h1,5-8,11H,4,9H2,2H3,(H,18,19,20)