2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide

Systemtic Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide Openeye Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide CAS Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)butanamide IUPAC Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide Traditional Name: 2-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)butyramide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22BrN5O2S/c1-4-18(20(29)24-17-11-7-15(22)8-12-17)30-21-26-25-19(27(21)3)14-5-9-16(10-6-14)23-13(2)28/h5-12,18H,4H2,1-3H3,(H,23,28)(H,24,29)