4-(4-aminophenyl)sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(4-aminophenyl)sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(4-aminophenyl)sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(4-aminophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(4-aminophenyl)sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(4-aminophenyl)thio]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)N

InChI

InChI=1S/C16H15N3OS/c1-11-15(21-14-9-7-12(17)8-10-14)16(20)19(18-11)13-5-3-2-4-6-13/h2-10,18H,17H2,1H3