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

Systemtic Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C16H23N4OS3+ MolecularWeight: 383.57502

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C16H22N4OS3/c1-2-11-23-15-17-20(16(22)24-15)12-18-7-9-19(10-8-18)13-5-3-4-6-14(13)21/h3-6,21H,2,7-12H2,1H3/p+1