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

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl]thio]-6-methyl-nicotinonitrile Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C#N)C(=O)C

InChI

InChI=1S/C26H26N4O2S/c1-18-24(19(2)31)14-22(15-27)26(28-18)33-17-25(32)30-12-10-29(11-13-30)16-21-8-5-7-20-6-3-4-9-23(20)21/h3-9,14H,10-13,16-17H2,1-2H3