1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[3-[(E)-2-(2-thienyl)vinyl]pyrazol-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]-1-pyrazolyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[3-[(E)-2-(2-thienyl)vinyl]pyrazol-1-yl]methanone Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C=CC(=N3)C=CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C=CC(=N3)/C=C/C4=CC=CS4

InChI

InChI=1S/C17H12N2O3S/c20-17(12-3-6-15-16(10-12)22-11-21-15)19-8-7-13(18-19)4-5-14-2-1-9-23-14/h1-10H,11H2/b5-4+