(E)-2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(p-tolylsulfonyl)-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(4-methylphenyl)sulfonyl-3-[3-(2-pyrimidinyloxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methylphenyl)sulfonyl-3-(3-pyrimidin-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-[3-(2-pyrimidyloxy)phenyl]-2-tosyl-acrylonitrile Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC=C2)OC3=NC=CC=N3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=CC=C2)OC3=NC=CC=N3)/C#N

InChI

InChI=1S/C20H15N3O3S/c1-15-6-8-18(9-7-15)27(24,25)19(14-21)13-16-4-2-5-17(12-16)26-20-22-10-3-11-23-20/h2-13H,1H3/b19-13+