5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-[(2-methyl-4-thiazolyl)methyl]-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-[(2-methylthiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5OS2/c1-14-19-15(12-26-14)11-17-20-23(18(25)24-17)13-21-7-9-22(10-8-21)16-5-3-2-4-6-16/h2-6,12H,7-11,13H2,1H3/p+1