2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one

Systemtic Name: 2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one Openeye Name: 2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one CAS Name: 2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one IUPAC Name: 2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-4H-pyrazol-3-one Traditional Name: 2-[(3aS,7aS)-3a,7a-dihydro-1,3-benzothiazol-2-yl]-4-(3-methoxypropyliminomethyl)-5-phenyl-2-pyrazolin-3-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=CC1C(=NN(C1=O)C2=NC3C=CC=CC3S2)C4=CC=CC=C4

Isomeric SMILES

COCCCN=CC1C(=NN(C1=O)C2=N[C@H]3C=CC=C[C@@H]3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-27-13-7-12-22-14-16-19(15-8-3-2-4-9-15)24-25(20(16)26)21-23-17-10-5-6-11-18(17)28-21/h2-6,8-11,14,16-18H,7,12-13H2,1H3/t16?,17-,18-/m0/s1