[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopropyl-(2-methylpropyl)azanium

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopropyl-(2-methylpropyl)azanium Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-isobutyl-ammonium CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopropyl-(2-methylpropyl)ammonium IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclopropyl-(2-methylpropyl)azanium Traditional Name: cyclopropyl-isobutyl-[(3-phenyl-4-piperonyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CN1C(=S)N(C(=N1)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)C5CC5

Isomeric SMILES

CC(C)C[NH+](CN1C(=S)N(C(=N1)C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C24H28N4O2S/c1-17(2)13-26(20-9-10-20)15-28-24(31)27(23(25-28)19-6-4-3-5-7-19)14-18-8-11-21-22(12-18)30-16-29-21/h3-8,11-12,17,20H,9-10,13-16H2,1-2H3/p+1