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

Systemtic Name: 3-[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[3-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-ethyl-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)N4CCCCCC4

Isomeric SMILES

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N4O2S/c1-2-26-21(18-13-16-9-5-6-10-17(16)14-19(18)27)23-24-22(26)29-15-20(28)25-11-7-3-4-8-12-25/h5-6,9-10,13-14,23H,2-4,7-8,11-12,15H2,1H3