(2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C18H22N4OS/c1-4-10-21-12-19-22(18(21)24)13-20(3)11-15-14-8-6-7-9-17(14)23-16(15)5-2/h4,6-9,12H,1,5,10-11,13H2,2-3H3/p+1