[5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-[(3-bromophenyl)methylamino]-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-[(3-bromophenyl)methylamino]-3-(2-furanyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-[(3-bromophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-[(3-bromobenzyl)amino]-3-(2-furyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C18H13BrN4O2S MolecularWeight: 429.29042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC2=NC(=NN2C(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C18H13BrN4O2S/c19-13-5-1-4-12(10-13)11-20-18-21-16(14-6-2-8-25-14)22-23(18)17(24)15-7-3-9-26-15/h1-10H,11H2,(H,20,21,22)