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

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CN2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4OS/c1-20-15(10-12-6-3-2-4-7-12)18-19-16(20)22-11-14(21)13-8-5-9-17-13/h2-9,17H,10-11H2,1H3