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

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxy-3-nitrophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c1-3-27-16-7-6-12(9-14(16)23(25)26)15(24)11-28-18-21-20-17(22(18)2)13-5-4-8-19-10-13/h4-10H,3,11H2,1-2H3