2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-bromobenzyl)-methyl-amino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Formula: C16H21BrN4S MolecularWeight: 381.33374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)Br)C3CC3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)Br)C3CC3

InChI

InChI=1S/C16H21BrN4S/c1-3-20-15(13-6-7-13)18-21(16(20)22)11-19(2)10-12-4-8-14(17)9-5-12/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3