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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-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-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-methyl-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CN=CC=C4)CC=C

InChI

InChI=1S/C23H25N5OS/c1-4-13-27-22(17-9-8-12-24-14-17)25-28(23(27)30)16-26(3)15-19-18-10-6-7-11-21(18)29-20(19)5-2/h4,6-12,14H,1,5,13,15-16H2,2-3H3/p+1