3-[4-ethyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[4-ethyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-ethyl-3-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-ethyl-3-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-ethyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-ethyl-3-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCCC(C4)C

Isomeric SMILES

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCC[C@@H](C4)C

InChI

InChI=1S/C22H26N4O2S/c1-3-26-21(18-11-16-8-4-5-9-17(16)12-19(18)27)23-24-22(26)29-14-20(28)25-10-6-7-15(2)13-25/h4-5,8-9,11-12,15,23H,3,6-7,10,13-14H2,1-2H3/t15-/m0/s1