N-aminocarbonyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O4S/c1-13(18(26)22-19(21)27)30-20-24-23-17(25(20)14-6-4-3-5-7-14)12-29-16-10-8-15(28-2)9-11-16/h3-11,13H,12H2,1-2H3,(H3,21,22,26,27)