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S-pyrimidin-2-yl 3-nitrobenzenecarbothioate

S-pyrimidin-2-yl 3-nitrobenzenecarbothioate

Systemtic Name:S-pyrimidin-2-yl 3-nitrobenzenecarbothioate
Openeye Name:S-pyrimidin-2-yl 3-nitrobenzenecarbothioate
CAS Name:3-nitrobenzenecarbothioic acid S-(2-pyrimidinyl) ester
IUPAC Name:S-pyrimidin-2-yl 3-nitrobenzenecarbothioate
Traditional Name:3-nitrothiobenzoic acid S-(2-pyrimidyl) ester
Formula: C11H7N3O3S
MolecularWeight: 261.25658
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H7N3O3S/c15-10(18-11-12-5-2-6-13-11)8-3-1-4-9(7-8)14(16)17/h1-7H


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