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

Systemtic Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-13-7-8-15(11-16(13)23(26)27)17(24)12-28-19-21-20-18(25)22(19)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,25)