4-(3-methoxypropyl)-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(3-methoxypropyl)-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CCCOC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S/c1-10-4-5-11(8-12(10)19(22)23)13(20)9-25-15-17-16-14(21)18(15)6-3-7-24-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,21)