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

Systemtic Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzhydryl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C25H26N5S+ MolecularWeight: 428.57244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5S/c1-28(23(19-8-4-2-5-9-19)20-10-6-3-7-11-20)18-29-25(31)30(22-12-13-22)24(27-29)21-14-16-26-17-15-21/h2-11,14-17,22-23H,12-13,18H2,1H3/p+1