butan-1-amine; 4-chloranyl-3-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: butan-1-amine; 4-chloranyl-3-(3-methyl-5-oxidanylidene-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Openeye Name: butan-1-amine; 4-chloro-3-(3-methyl-5-oxo-4-phenylazo-4H-pyrazol-1-yl)benzenesulfonic acid CAS Name: 1-butanamine; 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid IUPAC Name: butan-1-amine; 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid Traditional Name: butylamine; 4-chloro-3-(5-keto-3-methyl-4-phenylazo-2-pyrazolin-1-yl)besylic acid Formula: C20H24ClN5O4S MolecularWeight: 465.95366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CCCCN.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H13ClN4O4S.C4H11N/c1-10-15(19-18-11-5-3-2-4-6-11)16(22)21(20-10)14-9-12(26(23,24)25)7-8-13(14)17;1-2-3-4-5/h2-9,15H,1H3,(H,23,24,25);2-5H2,1H3