N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]propionamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H14ClN5O3S/c1-10(16(24)19-12-4-7-14-15(8-12)26-9-25-14)27-17-20-21-22-23(17)13-5-2-11(18)3-6-13/h2-8,10H,9H2,1H3,(H,19,24)