2-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[3-(2-cyanoanilino)-3-oxo-propyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[3-(2-cyanoanilino)-3-oxopropyl]thio]-4-pyrimidinolate IUPAC Name: 2-[3-(2-cyanoanilino)-3-oxopropyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[3-(2-cyanoanilino)-3-keto-propyl]thio]pyrimidin-4-olate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C14H12N4O2S/c15-9-10-3-1-2-4-11(10)17-13(20)6-8-21-14-16-7-5-12(19)18-14/h1-5,7H,6,8H2,(H,17,20)(H,16,18,19)/p-1