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

Systemtic Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(3,4-dicyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzhydryl-[(3,4-dicyclopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C23H27N4S+ MolecularWeight: 391.55228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2CC2)C3CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2CC2)C3CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4S/c1-25(21(17-8-4-2-5-9-17)18-10-6-3-7-11-18)16-26-23(28)27(20-14-15-20)22(24-26)19-12-13-19/h2-11,19-21H,12-16H2,1H3/p+1