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

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-21-17(10-13-6-3-2-4-7-13)19-20-18(21)26-12-16(23)14-8-5-9-15(11-14)22(24)25/h2-9,11H,10,12H2,1H3