1-[4-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[3-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]propoxy]phenyl]propan-1-one Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCCCN2C(=NC(=N2)SC)N

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCCCN2C(=NC(=N2)SC)N

InChI

InChI=1S/C15H20N4O2S/c1-3-13(20)11-5-7-12(8-6-11)21-10-4-9-19-14(16)17-15(18-19)22-2/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18)