(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(diphenylmethyl)-methyl-azanium

Systemtic Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium CAS Name: (5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-methylazanium Traditional Name: benzhydryl-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-21(2,3)19-22-20(26)25(23-19)15-24(4)18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,15H2,1-4H3,(H,22,23,26)/p+1