cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[3-(4-methoxyphenyl)-4-phenethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H32N4OS/c1-27(22-11-7-4-8-12-22)19-29-25(31)28(18-17-20-9-5-3-6-10-20)24(26-29)21-13-15-23(30-2)16-14-21/h3,5-6,9-10,13-16,22H,4,7-8,11-12,17-19H2,1-2H3/p+1