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

Systemtic Name: 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(3-chloroanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(3-chloroanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(3-chloroanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(3-chloroanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CNC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CNC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN5O2S/c1-26-15-7-5-14(6-8-15)24-17(22-23-18(24)27-11-16(20)25)10-21-13-4-2-3-12(19)9-13/h2-9,21H,10-11H2,1H3,(H2,20,25)