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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-propionamide Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H20N4O3S2/c1-15(22(28)24-13-16-9-10-18-19(12-16)30-14-29-18)32-23-26-25-21(20-8-5-11-31-20)27(23)17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3,(H,24,28)