(4Z)-2-(1,3-benzothiazol-2-yl)-4-(butylaminomethylidene)-5-(4-methoxyphenyl)pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN/C=C\1/C(=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/h5-12,14,23H,3-4,13H2,1-2H3/b17-14-