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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N5O4S/c28-20(23-16-6-7-18-19(14-16)31-15-30-18)8-13-32-22-25-24-21(26-9-11-29-12-10-26)27(22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,23,28)