(4R)-3-cyano-4-(phenylmethyl)-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinolin-5-olate

Systemtic Name: (4R)-3-cyano-4-(phenylmethyl)-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinolin-5-olate Openeye Name: (4R)-4-benzyl-3-cyano-2-thioxo-4,6,7,8-tetrahydro-3H-quinolin-5-olate CAS Name: (4R)-3-cyano-4-(phenylmethyl)-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinolin-5-olate IUPAC Name: (4R)-4-benzyl-3-cyano-2-sulfanylidene-4,6,7,8-tetrahydro-3H-quinolin-5-olate Traditional Name: (4R)-4-benzyl-3-cyano-2-thioxo-4,6,7,8-tetrahydro-3H-quinolin-5-olate Formula: C17H15N2OS- MolecularWeight: 295.3788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC(=C2[C@@H](C(C(=S)N=C2C1)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/h1-3,5-6,12-13,20H,4,7-9H2/p-1/t12-,13?/m1/s1