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

Systemtic Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-4-18-14(10(2)3)16-17-15(18)23-9-13(20)11-5-7-12(8-6-11)19(21)22/h5-8,10H,4,9H2,1-3H3