1-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-[[(4-methoxyphenyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(4-methoxyanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-methyl-5-(p-anisidinomethyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)CNC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)CNC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H18N4O2S/c1-10(19)9-21-14-17-16-13(18(14)2)8-15-11-4-6-12(20-3)7-5-11/h4-7,15H,8-9H2,1-3H3