1-(4-bromophenyl)-2-[3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[3-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 1-(4-bromophenyl)-2-[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[3-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]ethanone Formula: C27H26BrN3O2S MolecularWeight: 536.48324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H26BrN3O2S/c1-18(2)23-14-9-19(3)15-25(23)33-17-26-29-30(16-24(32)20-10-12-21(28)13-11-20)27(34)31(26)22-7-5-4-6-8-22/h4-15,18H,16-17H2,1-3H3