(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[[5-(propylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[[5-(propylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-[[5-(propylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]ammonium Formula: C15H22BrN4OS2+ MolecularWeight: 418.39538

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN(C(=S)S1)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCNC1=NN(C(=S)S1)C[NH+](C)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C15H21BrN4OS2/c1-4-7-17-14-18-20(15(22)23-14)10-19(2)9-11-8-12(16)5-6-13(11)21-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,18)/p+1