S-pyrimidin-2-yl 3-(3-nitrophenyl)prop-2-enethioate

Systemtic Name: S-pyrimidin-2-yl 3-(3-nitrophenyl)prop-2-enethioate Openeye Name: S-pyrimidin-2-yl 3-(3-nitrophenyl)prop-2-enethioate CAS Name: 3-(3-nitrophenyl)-2-propenethioic acid S-(2-pyrimidinyl) ester IUPAC Name: S-pyrimidin-2-yl 3-(3-nitrophenyl)prop-2-enethioate Traditional Name: 3-(3-nitrophenyl)prop-2-enethioic acid S-(2-pyrimidyl) ester Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)SC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)SC2=NC=CC=N2

InChI

InChI=1S/C13H9N3O3S/c17-12(20-13-14-7-2-8-15-13)6-5-10-3-1-4-11(9-10)16(18)19/h1-9H