N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-2-10-25-20(16-6-4-3-5-7-16)23-24-21(25)29-13-19(26)22-12-15-8-9-17-18(11-15)28-14-27-17/h2-9,11H,1,10,12-14H2,(H,22,26)