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

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

CCC1CCCCN1C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2C

InChI

InChI=1S/C22H26N4O2S/c1-3-17-10-6-7-11-26(17)20(28)14-29-22-24-23-21(25(22)2)18-12-15-8-4-5-9-16(15)13-19(18)27/h4-5,8-9,12-13,17,23H,3,6-7,10-11,14H2,1-2H3/t17-/m0/s1