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

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(1,3-diphenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(1,3-diphenylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C28H28N7S+ MolecularWeight: 494.63382

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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)C5=CN=CC=C5)C6CC6

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C(=S)N(C(=N4)C5=CN=CC=C5)C6CC6

InChI

InChI=1S/C28H27N7S/c1-32(20-34-28(36)35(25-14-15-25)27(31-34)22-11-8-16-29-17-22)18-23-19-33(24-12-6-3-7-13-24)30-26(23)21-9-4-2-5-10-21/h2-13,16-17,19,25H,14-15,18,20H2,1H3/p+1