2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O3S/c1-25-21(13-17-7-4-6-15-5-2-3-8-19(15)17)23-24-22(25)30-14-20(27)16-9-11-18(12-10-16)26(28)29/h2-12H,13-14H2,1H3