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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-naphthyl)ethanone CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-(2-naphthyl)ethanone Formula: C20H17N3OS2 MolecularWeight: 379.49848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CS4

InChI

InChI=1S/C20H17N3OS2/c1-23-19(12-17-7-4-10-25-17)21-22-20(23)26-13-18(24)16-9-8-14-5-2-3-6-15(14)11-16/h2-11H,12-13H2,1H3