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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-2-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-2-phenyl-acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-2-phenylacetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-2-phenylacetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-2-phenyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N5O2S/c1-4-25(5-2)20(27)18(15-9-7-6-8-10-15)29-21-24-23-19(26(21)22)16-11-13-17(28-3)14-12-16/h6-14,18H,4-5,22H2,1-3H3