2-azanyl-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide

Systemtic Name: 2-azanyl-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide Openeye Name: 2-amino-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide CAS Name: 2-amino-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]pentanamide IUPAC Name: 2-amino-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]pentanamide Traditional Name: 2-amino-3-methyl-N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]valeramide Formula: C14H19N5OS MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC2=NC=NN2)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC2=NC=NN2)N

InChI

InChI=1S/C14H19N5OS/c1-3-9(2)12(15)13(20)18-10-4-6-11(7-5-10)21-14-16-8-17-19-14/h4-9,12H,3,15H2,1-2H3,(H,18,20)(H,16,17,19)