1,3-benzodioxol-5-yl-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone IUPAC Name: 1,3-benzodioxol-5-yl-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-propoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]methanone Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O4S/c1-2-7-22-17-18-15(14-4-3-8-25-14)20(19-17)16(21)11-5-6-12-13(9-11)24-10-23-12/h3-6,8-9H,2,7,10H2,1H3