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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C16H22N6O3S2 MolecularWeight: 410.51428

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N

Isomeric SMILES

CSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N

InChI

InChI=1S/C16H22N6O3S2/c1-26-16-20-19-15(17)22(16)11-14(23)18-12-5-7-13(8-6-12)27(24,25)21-9-3-2-4-10-21/h5-8H,2-4,9-11H2,1H3,(H2,17,19)(H,18,23)