5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]thio]-6-methyl-nicotinonitrile Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C23H26N4O3S/c1-17-21(18(2)28)14-19(15-24)23(25-17)31-16-22(29)27-10-8-26(9-11-27)12-13-30-20-6-4-3-5-7-20/h3-7,14H,8-13,16H2,1-2H3