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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(2-methylpropylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(5-isobutylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(2-methylpropylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(2-methylpropylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[5-(isobutylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C18H28N3O2S3+ MolecularWeight: 414.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)SC(=N2)SCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)SC(=N2)SCC(C)C)OC

InChI

InChI=1S/C18H27N3O2S3/c1-6-23-15-8-7-14(9-16(15)22-5)10-20(4)12-21-18(24)26-17(19-21)25-11-13(2)3/h7-9,13H,6,10-12H2,1-5H3/p+1