[5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [5-(2-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [5-(2-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl-cyclopropyl-p-anisyl-ammonium Formula: C20H22BrN4OS+ MolecularWeight: 446.38388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CN2C(=S)N=C(N2)C3=CC=CC=C3Br)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CN2C(=S)N=C(N2)C3=CC=CC=C3Br)C4CC4

InChI

InChI=1S/C20H21BrN4OS/c1-26-16-10-6-14(7-11-16)12-24(15-8-9-15)13-25-20(27)22-19(23-25)17-4-2-3-5-18(17)21/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,22,23,27)/p+1