3-[[5-(1-azanylpropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 3-[[5-(1-azanylpropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[[5-(1-aminopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[[5-(1-aminopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 3-[[5-(1-aminopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[[5-(1-aminopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC)SCCC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC(C1=NN=C(N1CC)SCCC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C16H22N4OS/c1-3-13(17)15-18-19-16(20(15)4-2)22-11-10-14(21)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,17H2,1-2H3