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

Systemtic Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(o-tolylmethyl)ammonium CAS Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-methylbenzyl)ammonium Formula: C19H22BrN4S+ MolecularWeight: 418.37378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H21BrN4S/c1-14-7-4-5-8-16(14)12-22(2)13-24-19(25)23(3)18(21-24)15-9-6-10-17(20)11-15/h4-11H,12-13H2,1-3H3/p+1