2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C16H20N4O2S/c1-3-6-19-11-17-20(16(19)23)12-18(2)10-13-4-5-14-15(9-13)22-8-7-21-14/h3-5,9,11H,1,6-8,10,12H2,2H3/p+1