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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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