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

Systemtic Name: 3-[4-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-methyl-3-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-methyl-3-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2C

InChI

InChI=1S/C21H24N4O2S/c1-14-6-5-9-25(12-14)19(27)13-28-21-23-22-20(24(21)2)17-10-15-7-3-4-8-16(15)11-18(17)26/h3-4,7-8,10-11,14,22H,5-6,9,12-13H2,1-2H3