3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-N-propyl-benzamide

Systemtic Name: 3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-N-propyl-benzamide Openeye Name: 3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-N-propyl-benzamide CAS Name: 3-[[(6-phenyl-3-pyridazinyl)thio]methyl]-N-propylbenzamide IUPAC Name: 3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-N-propylbenzamide Traditional Name: 3-[[(6-phenylpyridazin-3-yl)thio]methyl]-N-propyl-benzamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-2-13-22-21(25)18-10-6-7-16(14-18)15-26-20-12-11-19(23-24-20)17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3,(H,22,25)