(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-di(propan-2-yl)azanium

Systemtic Name: (3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-di(propan-2-yl)azanium Openeye Name: (3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-diisopropyl-ammonium CAS Name: (3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-di(propan-2-yl)ammonium IUPAC Name: (3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-di(propan-2-yl)azanium Traditional Name: (3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-diisopropyl-ammonium Formula: C21H27N4S+ MolecularWeight: 367.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)[NH+](CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

InChI

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