2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H21N5O2S/c1-27-16-11-7-14(8-12-16)18-23-24-20(25(18)21)28-17(13-5-3-2-4-6-13)19(26)22-15-9-10-15/h2-8,11-12,15,17H,9-10,21H2,1H3,(H,22,26)