2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]nicotinate Formula: C15H10N3O3S- MolecularWeight: 312.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C#N

InChI

InChI=1S/C15H11N3O3S/c16-8-10-3-1-4-11(7-10)18-13(19)9-22-14-12(15(20)21)5-2-6-17-14/h1-7H,9H2,(H,18,19)(H,20,21)/p-1