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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propionamide Formula: C18H15BrN6OS MolecularWeight: 443.3203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H15BrN6OS/c1-11(17(26)22-15-9-5-2-6-12(15)10-20)27-18-24-23-16(25(18)21)13-7-3-4-8-14(13)19/h2-9,11H,21H2,1H3,(H,22,26)