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

Systemtic Name: 2-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C17H16N6O2S/c1-12-14(7-10-25-12)16-20-21-17(23(16)19)26-11-15(24)22(9-8-18)13-5-3-2-4-6-13/h2-7,10H,9,11,19H2,1H3