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

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(2-thienyl)ethanone Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CS2)CC3=CC=CC=C3

InChI

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