(3S)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C17H14BrN3O3S/c18-11-7-12(25-10-11)8-21-16(5-6-19-21)20-17(22)15-9-23-13-3-1-2-4-14(13)24-15/h1-7,10,15H,8-9H2,(H,20,22)/t15-/m0/s1