[4-(2-azanyl-2-oxidanylidene-ethyl)-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-bromophenyl)methyl]-methyl-azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-bromophenyl)methyl]-methyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethyl)-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: [4-(2-amino-2-oxoethyl)-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-bromophenyl)methyl]-methylammonium IUPAC Name: [4-(2-amino-2-oxoethyl)-3-cyclopropyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [4-(2-amino-2-keto-ethyl)-3-cyclopropyl-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-bromobenzyl)-methyl-ammonium Formula: C16H21BrN5OS+ MolecularWeight: 411.33984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3CC3)CC(=O)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)C3CC3)CC(=O)N

InChI

InChI=1S/C16H20BrN5OS/c1-20(8-11-2-6-13(17)7-3-11)10-22-16(24)21(9-14(18)23)15(19-22)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,18,23)/p+1