4-[[(4S)-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzamide

Systemtic Name: 4-[[(4S)-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzamide Openeye Name: 4-[[(4S)-3-methyl-5-oxo-1-[4-(p-tolyl)thiazol-2-yl]-4H-pyrazol-4-yl]azo]benzamide CAS Name: 4-[[(4S)-3-methyl-1-[4-(4-methylphenyl)-2-thiazolyl]-5-oxo-4H-pyrazol-4-yl]azo]benzamide IUPAC Name: 4-[[(4S)-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzamide Traditional Name: 4-[[(4S)-5-keto-3-methyl-1-[4-(p-tolyl)thiazol-2-yl]-2-pyrazolin-4-yl]azo]benzamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C)N=NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)[C@H](C(=N3)C)N=NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H18N6O2S/c1-12-3-5-14(6-4-12)17-11-30-21(23-17)27-20(29)18(13(2)26-27)25-24-16-9-7-15(8-10-16)19(22)28/h3-11,18H,1-2H3,(H2,22,28)/t18-/m0/s1