[(3R)-3-cyano-5-(4,8-dimethylquinolin-2-yl)sulfanyl-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3R)-3-cyano-5-(4,8-dimethylquinolin-2-yl)sulfanyl-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2R)-2-cyano-4-[(4,8-dimethyl-2-quinolyl)sulfanyl]-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3R)-3-cyano-5-[(4,8-dimethyl-2-quinolinyl)thio]-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3R)-3-cyano-5-(4,8-dimethylquinolin-2-yl)sulfanyl-4-oxopentan-2-ylidene]azanium Traditional Name: [(2R)-2-cyano-4-[(4,8-dimethyl-2-quinolyl)thio]-3-keto-1-methyl-butylidene]ammonium Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C(C#N)C(=[NH2+])C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)[C@@H](C#N)C(=[NH2+])C

InChI

InChI=1S/C17H17N3OS/c1-10-5-4-6-13-11(2)7-16(20-17(10)13)22-9-15(21)14(8-18)12(3)19/h4-7,14,19H,9H2,1-3H3/p+1/t14-/m0/s1