4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-butan-1-one Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-14-9-11-16(12-10-14)18-21-22-19(23(18)20)25-13-5-8-17(24)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13,20H2,1H3