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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-[(thiophen-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-methyl-5-[(2-thienylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C16H15N3OS3 MolecularWeight: 361.5048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CSC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CSC3=CC=CS3

InChI

InChI=1S/C16H15N3OS3/c1-19-14(11-22-15-8-5-9-21-15)17-18-16(19)23-10-13(20)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3