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

Systemtic Name: 1-[(5-methyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-propan-2-one Openeye Name: 1-[(5-anilino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-propan-2-one CAS Name: 1-[(5-anilino-5-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-2-propanone IUPAC Name: 1-[(5-anilino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-2-one Traditional Name: 1-[(5-anilino-5-methyl-1,2,4-triazol-3-yl)thio]-1-phenyl-acetone Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)SC2=NC(N=N2)(C)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)SC2=NC(N=N2)(C)NC3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-13(23)16(14-9-5-3-6-10-14)24-17-20-18(2,22-21-17)19-15-11-7-4-8-12-15/h3-12,16,19H,1-2H3