N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCC(=O)NC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N5O4S/c28-19(24-21(29)23-15-8-9-17-18(12-15)31-13-30-17)10-11-32-22-25-20(14-6-7-14)27(26-22)16-4-2-1-3-5-16/h1-5,8-9,12,14H,6-7,10-11,13H2,(H2,23,24,28,29)