3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(2-bromophenyl)methylthio]-4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(2-bromobenzyl)thio]-4-cyclopropyl-5-pyrrolidino-1,2,4-triazole Formula: C16H19BrN4S MolecularWeight: 379.31786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC=CC=C4Br

InChI

InChI=1S/C16H19BrN4S/c17-14-6-2-1-5-12(14)11-22-16-19-18-15(20-9-3-4-10-20)21(16)13-7-8-13/h1-2,5-6,13H,3-4,7-11H2