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

Systemtic Name: N-aminocarbonyl-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: N-carbamoyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)NC(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3SCC(=O)NC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C19H17N5O4S/c20-18(26)21-16(25)10-29-19-23-22-17(13-4-2-1-3-5-13)24(19)9-12-6-7-14-15(8-12)28-11-27-14/h1-8H,9-11H2,(H3,20,21,25,26)