1-[3-[[4-azanyl-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-azanyl-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-amino-5-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-amino-5-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-amino-5-(2-methoxy-5-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2N)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2N)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C21H24N4O3S/c1-5-28-18-9-7-15(14(3)26)11-16(18)12-29-21-24-23-20(25(21)22)17-10-13(2)6-8-19(17)27-4/h6-11H,5,12,22H2,1-4H3