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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12-4-5-14(10-16(12)23(25)26)17(24)11-28-19-21-20-18(22(19)2)13-6-8-15(27-3)9-7-13/h4-10H,11H2,1-3H3