[(E)-[5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] ethanoate

Systemtic Name: [(E)-[5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] ethanoate Openeye Name: [(E)-[5-methyl-2-phenyl-3-(p-tolylsulfanyl)-3,4-dihydropyrazol-4-yl]methyleneamino] acetate CAS Name: acetic acid [(E)-[5-methyl-3-[(4-methylphenyl)thio]-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] ester IUPAC Name: [(E)-[5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-3,4-dihydropyrazol-4-yl]methylideneamino] acetate Traditional Name: acetic acid [(E)-[3-methyl-1-phenyl-5-(p-tolylthio)-2-pyrazolin-4-yl]methyleneamino] ester Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(=NN2C3=CC=CC=C3)C)C=NOC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2C(C(=NN2C3=CC=CC=C3)C)/C=N/OC(=O)C

InChI

InChI=1S/C20H21N3O2S/c1-14-9-11-18(12-10-14)26-20-19(13-21-25-16(3)24)15(2)22-23(20)17-7-5-4-6-8-17/h4-13,19-20H,1-3H3/b21-13+