4-chloranyl-5-methyl-2-[(2E)-2-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-chloranyl-5-methyl-2-[(2E)-2-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-1-(m-tolyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-1-(3-methylphenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-chloro-5-methyl-2-[(2E)-2-[3-methyl-1-(3-methylphenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-chloro-2-[(N'E)-N'-[5-keto-3-methyl-1-(m-tolyl)-2-pyrazolin-4-ylidene]hydrazino]-5-methyl-besylic acid Formula: C18H17ClN4O4S MolecularWeight: 420.86998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=NNC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)O)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=N/NC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)O)/C(=N2)C

InChI

InChI=1S/C18H17ClN4O4S/c1-10-5-4-6-13(7-10)23-18(24)17(12(3)22-23)21-20-15-9-14(19)11(2)8-16(15)28(25,26)27/h4-9,20H,1-3H3,(H,25,26,27)/b21-17+