1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylpropylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylpropylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(5-isobutylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylpropylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-(2-methylpropylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-(isobutylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C16H21N4S4+ MolecularWeight: 397.62474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN(C(=S)S1)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CSC1=NN(C(=S)S1)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N4S4/c1-11(2)9-22-15-18-20(16(21)24-15)10-19(3)8-14-17-12-6-4-5-7-13(12)23-14/h4-7,11H,8-10H2,1-3H3/p+1