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

Systemtic Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: (4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: (4-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C23H25N6S+ MolecularWeight: 417.5498

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6S/c1-26(17-29-23(30)27(16-24-29)20-12-13-20)14-19-15-28(21-10-6-3-7-11-21)25-22(19)18-8-4-2-5-9-18/h2-11,15-16,20H,12-14,17H2,1H3/p+1