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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethyl-propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-ethylpropanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-ethyl-propionamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrN5OS/c1-3-25(13-15-9-5-4-6-10-15)19(27)14(2)28-20-24-23-18(26(20)22)16-11-7-8-12-17(16)21/h4-12,14H,3,13,22H2,1-2H3