2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C16H11ClN3O4S- MolecularWeight: 376.79424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C16H12ClN3O4S/c17-11-4-1-10(2-5-11)3-8-15(22)19-16(25)18-13-9-12(20(23)24)6-7-14(13)21/h1-9,21H,(H2,18,19,22,25)/p-1/b8-3+