N5-[3-(1,3-benzothiazol-2-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[3-(1,3-benzothiazol-2-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[3-(1,3-benzothiazol-2-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[3-(1,3-benzothiazol-2-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[3-(1,3-benzothiazol-2-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NCCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NCCCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H21N5O2S/c22-20(27)17-13-16(25-26(17)14-7-2-1-3-8-14)21(28)23-12-6-11-19-24-15-9-4-5-10-18(15)29-19/h1-5,7-10,17H,6,11-13H2,(H2,22,27)(H,23,28)