(4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylidene)pyrazol-3-one

Systemtic Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylidene)pyrazol-3-one Openeye Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylene)pyrazol-3-one CAS Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylidene)-3-pyrazolone IUPAC Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylidene)pyrazol-3-one Traditional Name: (4Z)-2-(1,3-benzothiazol-2-yl)-5-propyl-4-(propylaminomethylene)-2-pyrazolin-3-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C\NCCC)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4OS/c1-3-7-13-12(11-18-10-4-2)16(22)21(20-13)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3/b12-11-