3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboximidate

Systemtic Name: 3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboximidate Openeye Name: 3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboximidate CAS Name: 3-methyl-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboximidate IUPAC Name: 3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-1-phenylthieno[2,3-c]pyrazole-5-carboximidate Traditional Name: 3-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-1-phenyl-thieno[2,3-c]pyrazole-5-carboximidate Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=NC3=NC(=CS3)C[NH+]4CCOCC4)[O-])C5=CC=CC=C5

InChI

InChI=1S/C21H21N5O2S2/c1-14-17-11-18(30-20(17)26(24-14)16-5-3-2-4-6-16)19(27)23-21-22-15(13-29-21)12-25-7-9-28-10-8-25/h2-6,11,13H,7-10,12H2,1H3,(H,22,23,27)