2-[[4-azanyl-5-[(2-chloranyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(2-chloranyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(2-chloro-5-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(2-chloro-5-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

InChI

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