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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N4O2S/c1-15-21-23(20(27)24(15)17-6-4-3-5-7-17)14-22(2)13-16-8-9-18-19(12-16)26-11-10-25-18/h3-9,12H,10-11,13-14H2,1-2H3/p+1