2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenyl-acetamide CAS Name: 2-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N,2-diphenylacetamide IUPAC Name: 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,2-diphenylacetamide Traditional Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N,2-diphenyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14-17(12-13-28-14)19-24-25-21(26(19)22)29-18(15-8-4-2-5-9-15)20(27)23-16-10-6-3-7-11-16/h2-13,18H,22H2,1H3,(H,23,27)