4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)butanamide

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)butanamide Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)butanamide CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxypropyl)butanamide IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)butanamide Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(3-methoxypropyl)butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-28-16-9-15-23-20(27)14-8-17-29-22-25-24-21(18-10-4-2-5-11-18)26(22)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3,(H,23,27)