2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-3-22-17(14-5-4-8-19-10-14)20-21-18(22)27-11-16(24)13-7-6-12(2)15(9-13)23(25)26/h4-10H,3,11H2,1-2H3