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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C16H15N3OS2/c1-19-15(10-13-8-5-9-21-13)17-18-16(19)22-11-14(20)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3