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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C18H18BrN5O3S MolecularWeight: 464.33622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrN5O3S/c1-26-11-7-8-15(27-2)14(9-11)21-16(25)10-28-18-23-22-17(24(18)20)12-5-3-4-6-13(12)19/h3-9H,10,20H2,1-2H3,(H,21,25)