2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylbutylideneamino]ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylbutylideneamino]ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylbutylideneamino]acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(Z)-1-phenylbutylideneamino]acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylbutylideneamino]acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(Z)-1-phenylbutylideneamino]acetamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N/NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Br)/C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN5OS/c1-3-7-18(15-8-5-4-6-9-15)23-24-19(28)14-29-21-26-25-20(27(21)2)16-10-12-17(22)13-11-16/h4-6,8-13H,3,7,14H2,1-2H3,(H,24,28)/b23-18-