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

Systemtic Name: 3-[4-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-methyl-3-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-24-20(17-10-14-4-2-3-5-15(14)11-18(17)26)22-23-21(24)30-12-19(27)13-6-8-16(9-7-13)25(28)29/h2-11,22H,12H2,1H3