3-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-bromobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C17H21BrN4O2S MolecularWeight: 425.34324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)CCC(=O)N

InChI

InChI=1S/C17H21BrN4O2S/c18-13-5-3-12(4-6-13)11-25-17-21-20-16(8-7-15(19)23)22(17)10-14-2-1-9-24-14/h3-6,14H,1-2,7-11H2,(H2,19,23)