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

Systemtic Name: 3-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 3-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 3-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)propanamide IUPAC Name: 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 3-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromophenyl)propionamide Formula: C16H16BrN5O2S MolecularWeight: 422.29954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H16BrN5O2S/c1-10-13(6-8-24-10)15-20-21-16(22(15)18)25-9-7-14(23)19-12-4-2-11(17)3-5-12/h2-6,8H,7,9,18H2,1H3,(H,19,23)