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

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(3-morpholinopropyl)butyramide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c31-23(26-14-8-15-29-16-18-32-19-17-29)13-7-20-33-25-28-27-24(21-9-3-1-4-10-21)30(25)22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2,(H,26,31)