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

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C17H24N6O3S2 MolecularWeight: 424.54086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SC)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)N3C(=NN=C3SC)N

InChI

InChI=1S/C17H24N6O3S2/c1-12(23-16(18)20-21-17(23)27-2)15(24)19-13-6-8-14(9-7-13)28(25,26)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H2,18,20)(H,19,24)