1,3-dimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one

Systemtic Name: 1,3-dimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one Openeye Name: 1,3-dimethyl-4-prop-2-ynyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one CAS Name: 1,3-dimethyl-4-prop-2-ynyl-5-pyrazolo[3,4-b][1,4]benzothiazepinone IUPAC Name: 1,3-dimethyl-4-prop-2-ynylpyrazolo[3,4-b][1,4]benzothiazepin-5-one Traditional Name: 1,3-dimethyl-4-propargyl-pyrazolo[3,4-b][1,4]benzothiazepin-5-one Formula: C15H13N3OS MolecularWeight: 283.34822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C(=O)C3=CC=CC=C3S2)CC#C)C

Isomeric SMILES

CC1=NN(C2=C1N(C(=O)C3=CC=CC=C3S2)CC#C)C

InChI

InChI=1S/C15H13N3OS/c1-4-9-18-13-10(2)16-17(3)15(13)20-12-8-6-5-7-11(12)14(18)19/h1,5-8H,9H2,2-3H3