2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(butyliminomethyl)-5-(4-methoxyphenyl)-2-pyrazolin-3-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN=CC1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O2S/c1-3-4-13-23-14-17-20(15-9-11-16(28-2)12-10-15)25-26(21(17)27)22-24-18-7-5-6-8-19(18)29-22/h5-12,14,17H,3-4,13H2,1-2H3