(4-nitrophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid

Systemtic Name: (4-nitrophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid Openeye Name: (4-nitrophenyl)-(3-pyridylmethyl)carbamothioic S-acid CAS Name: (4-nitrophenyl)-(3-pyridinylmethyl)carbamothioic S-acid IUPAC Name: (4-nitrophenyl)-(pyridin-3-ylmethyl)carbamothioic S-acid Traditional Name: (4-nitrophenyl)-(3-pyridylmethyl)thiocarbamic S-acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C13H11N3O3S/c17-13(20)15(9-10-2-1-7-14-8-10)11-3-5-12(6-4-11)16(18)19/h1-8H,9H2,(H,17,20)