N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S/c1-13(18(25)21-15-7-8-16-17(11-15)28-12-27-16)29-20-23-22-19(26)24(20)10-9-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,21,25)(H,22,26)