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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)propionamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C19H20BrN5OS/c1-12(14-8-4-3-5-9-14)22-18(26)13(2)27-19-24-23-17(25(19)21)15-10-6-7-11-16(15)20/h3-13H,21H2,1-2H3,(H,22,26)