S-(4,6-dimethylpyrimidin-2-yl) (E)-3-(3-nitrophenyl)prop-2-enethioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) (E)-3-(3-nitrophenyl)prop-2-enethioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) (E)-3-(3-nitrophenyl)prop-2-enethioate CAS Name: (E)-3-(3-nitrophenyl)-2-propenethioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) (E)-3-(3-nitrophenyl)prop-2-enethioate Traditional Name: (E)-3-(3-nitrophenyl)prop-2-enethioic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O3S/c1-10-8-11(2)17-15(16-10)22-14(19)7-6-12-4-3-5-13(9-12)18(20)21/h3-9H,1-2H3/b7-6+