8-[[4-(cyanomethylsulfanyl)phenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-(cyanomethylsulfanyl)phenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(cyanomethylsulfanyl)phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-(cyanomethylthio)anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(cyanomethylsulfanyl)phenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-(cyanomethylthio)phenyl]carbamoyl]-1-naphthoic acid Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC#N)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC#N)C(=CC=C2)C(=O)O

InChI

InChI=1S/C20H14N2O3S/c21-11-12-26-15-9-7-14(8-10-15)22-19(23)16-5-1-3-13-4-2-6-17(18(13)16)20(24)25/h1-10H,12H2,(H,22,23)(H,24,25)