(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: (3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C26H29N6S+ MolecularWeight: 457.61366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C(=N4)C5CC5)C6CC6

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C(=N4)C5CC5)C6CC6

InChI

InChI=1S/C26H28N6S/c1-29(18-31-26(33)32(23-14-15-23)25(28-31)20-12-13-20)16-21-17-30(22-10-6-3-7-11-22)27-24(21)19-8-4-2-5-9-19/h2-11,17,20,23H,12-16,18H2,1H3/p+1