3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C18H23N4OS3+ MolecularWeight: 407.59642

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H22N4OS3/c1-2-11-25-17-20-22(18(24)26-17)12-21-9-7-13(8-10-21)16-19-14-5-3-4-6-15(14)23-16/h3-6,13H,2,7-12H2,1H3/p+1