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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Openeye Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(prop-2-enylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium Traditional Name: [5-(allylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C17H25N4O2S2+ MolecularWeight: 381.536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S2/c1-5-9-18-16-19-21(17(24)25-16)12-20(3)11-13-7-8-14(23-6-2)15(10-13)22-4/h5,7-8,10H,1,6,9,11-12H2,2-4H3,(H,18,19)/p+1