N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-3-methoxy-benzamide

Systemtic Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]-3-methoxy-benzamide Openeye Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methoxy-benzamide CAS Name: N-[1-[5-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methoxybenzamide IUPAC Name: N-[1-[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxyethyl]-3-methoxybenzamide Traditional Name: N-[1-[5-[(4-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]-2-hydroxy-ethyl]-3-methoxy-benzamide Formula: C25H23BrN4O3S MolecularWeight: 539.44412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CO)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(CO)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H23BrN4O3S/c1-33-21-9-5-6-18(14-21)24(32)27-22(15-31)23-28-29-25(30(23)20-7-3-2-4-8-20)34-16-17-10-12-19(26)13-11-17/h2-14,22,31H,15-16H2,1H3,(H,27,32)