[4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN5OS/c21-17-6-2-1-5-16(17)18-23-24-20(26(18)22)28-13-14-7-9-15(10-8-14)19(27)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13,22H2