2-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(1,2-dimethyl-3-indolyl)-2-oxoethyl]thio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(1,2-dimethylindol-3-yl)-2-keto-ethyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)C2=C(N(C3=CC=CC=C32)C)C

InChI

InChI=1S/C21H21N3O2S/c1-13-9-15(11-26-4)17(10-22)21(23-13)27-12-19(25)20-14(2)24(3)18-8-6-5-7-16(18)20/h5-9H,11-12H2,1-4H3