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

Systemtic Name: 2-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)acetamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN5OS/c1-11-3-8-15(12(2)9-11)21-16(25)10-26-18-23-22-17(24(18)20)13-4-6-14(19)7-5-13/h3-9H,10,20H2,1-2H3,(H,21,25)