2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[3-azanyl-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(cyanomethylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C17H21N7O3S2 MolecularWeight: 435.52374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=NN=C3SCC#N)N

InChI

InChI=1S/C17H21N7O3S2/c18-8-11-28-17-22-21-16(19)24(17)12-15(25)20-13-4-6-14(7-5-13)29(26,27)23-9-2-1-3-10-23/h4-7H,1-3,9-12H2,(H2,19,21)(H,20,25)