N-octyl-N-(quinolin-3-ylmethyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-octyl-N-(quinolin-3-ylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-octyl-N-(3-quinolylmethyl)thiadiazole-4-carboxamide CAS Name: N-octyl-N-(3-quinolinylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-octyl-N-(quinolin-3-ylmethyl)thiadiazole-4-carboxamide Traditional Name: N-octyl-N-(3-quinolylmethyl)thiadiazole-4-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC2=CC=CC=C2N=C1)C(=O)C3=CSN=N3

Isomeric SMILES

CCCCCCCCN(CC1=CC2=CC=CC=C2N=C1)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H26N4OS/c1-2-3-4-5-6-9-12-25(21(26)20-16-27-24-23-20)15-17-13-18-10-7-8-11-19(18)22-14-17/h7-8,10-11,13-14,16H,2-6,9,12,15H2,1H3