3-cyano-4-(phenylmethyl)-2-sulfanyl-4,6,7,8-tetrahydroquinolin-5-olate

Systemtic Name: 3-cyano-4-(phenylmethyl)-2-sulfanyl-4,6,7,8-tetrahydroquinolin-5-olate Openeye Name: 4-benzyl-3-cyano-2-sulfanyl-4,6,7,8-tetrahydroquinolin-5-olate CAS Name: 3-cyano-2-mercapto-4-(phenylmethyl)-4,6,7,8-tetrahydroquinolin-5-olate IUPAC Name: 4-benzyl-3-cyano-2-sulfanyl-4,6,7,8-tetrahydroquinolin-5-olate Traditional Name: 4-benzyl-3-cyano-2-mercapto-4,6,7,8-tetrahydroquinolin-5-olate Formula: C17H15N2OS- MolecularWeight: 295.3788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(C(=C(N=C2C1)S)C#N)CC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC(=C2C(C(=C(N=C2C1)S)C#N)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H16N2OS/c18-10-13-12(9-11-5-2-1-3-6-11)16-14(19-17(13)21)7-4-8-15(16)20/h1-3,5-6,12,20-21H,4,7-9H2/p-1