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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-butanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylbutanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-butyramide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

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