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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C18H19BrN6OS MolecularWeight: 447.35206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6OS/c1-24(2)13-9-7-12(8-10-13)21-16(26)11-27-18-23-22-17(25(18)20)14-5-3-4-6-15(14)19/h3-10H,11,20H2,1-2H3,(H,21,26)