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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)propanamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanophenyl)propanamide Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyanophenyl)propionamide Formula: C21H18BrN5OS MolecularWeight: 468.36952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN5OS/c1-3-11-27-19(16-7-9-17(22)10-8-16)25-26-21(27)29-14(2)20(28)24-18-6-4-5-15(12-18)13-23/h3-10,12,14H,1,11H2,2H3,(H,24,28)