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

Systemtic Name: N-(4-bromophenyl)-3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H21BrN4OS MolecularWeight: 409.34384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H21BrN4OS/c1-11(2)16-20-21-17(22(16)14-7-8-14)24-10-9-15(23)19-13-5-3-12(18)4-6-13/h3-6,11,14H,7-10H2,1-2H3,(H,19,23)