5-(3-bromophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3-bromophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-4-methyl-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-4-methyl-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C14H17BrN4S MolecularWeight: 353.28058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C14H17BrN4S/c1-17-13(11-5-4-6-12(15)9-11)16-19(14(17)20)10-18-7-2-3-8-18/h4-6,9H,2-3,7-8,10H2,1H3