2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(E)-veratrylideneamino]acetamide Formula: C20H20BrN5O3S MolecularWeight: 490.3735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NN=CC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN5O3S/c1-26-19(14-5-4-6-15(21)10-14)24-25-20(26)30-12-18(27)23-22-11-13-7-8-16(28-2)17(9-13)29-3/h4-11H,12H2,1-3H3,(H,23,27)/b22-11+