diethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: diethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: diethyl-[[4-(2-isopropylphenyl)-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: diethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: diethyl-[[3-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: diethyl-[[3-(4-methoxyphenyl)-4-o-cumenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3C(C)C

Isomeric SMILES

CC[NH+](CC)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3C(C)C

InChI

InChI=1S/C23H30N4OS/c1-6-25(7-2)16-26-23(29)27(21-11-9-8-10-20(21)17(3)4)22(24-26)18-12-14-19(28-5)15-13-18/h8-15,17H,6-7,16H2,1-5H3/p+1