2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H21N3OS/c1-13-10-14(2)22-19(18(13)11-21)25-15(3)20(24)23-9-8-16-6-4-5-7-17(16)12-23/h4-7,10,15H,8-9,12H2,1-3H3/t15-/m1/s1